Target Information
| Target General Information | Top | |||||
|---|---|---|---|---|---|---|
| Target ID |
T37693
(Former ID: TTDC00314)
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| Target Name |
Cannabinoid receptor 2 (CB2)
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| Synonyms |
hCB2; Cannabinoid CB2 receptor; CX5; CB2B; CB2A; CB-2
Click to Show/Hide
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| Gene Name |
CNR2
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| Target Type |
Successful target
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[1] | ||||
| Disease | [+] 2 Target-related Diseases | + | ||||
| 1 | Attention deficit hyperactivity disorder [ICD-11: 6A05] | |||||
| 2 | Insomnia [ICD-11: 7A00-7A0Z] | |||||
| Function |
May function in inflammatory response, nociceptive transmission and bone homeostasis. Heterotrimeric G protein-coupled receptor for endocannabinoid 2-arachidonoylglycerol mediating inhibition of adenylate cyclase.
Click to Show/Hide
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| BioChemical Class |
GPCR rhodopsin
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| UniProt ID | ||||||
| Sequence |
MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILS
SHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTAS VGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCS ELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLD VRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYA LRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| HIT2.0 ID | T95LIF | |||||
| Drugs and Modes of Action | Top | |||||
|---|---|---|---|---|---|---|
| Approved Drug(s) | [+] 2 Approved Drugs | + | ||||
| 1 | Guanfacine extended release | Drug Info | Approved | Attention deficit hyperactivity disorder | [2] | |
| 2 | NABILONE | Drug Info | Approved | Insomnia | [3] | |
| Clinical Trial Drug(s) | [+] 7 Clinical Trial Drugs | + | ||||
| 1 | 842166X | Drug Info | Phase 2 | Pain | [6] | |
| 2 | APD371 | Drug Info | Phase 2 | Crohn disease | [7] | |
| 3 | GW-42004 | Drug Info | Phase 2 | Lipid metabolism disorder | [8] | |
| 4 | KHK-6188 | Drug Info | Phase 2 | Neuropathic pain | [9] | |
| 5 | LY-2828360 | Drug Info | Phase 2 | Pain | [10] | |
| 6 | S-777469 | Drug Info | Phase 2 | Atopic dermatitis | [11] | |
| 7 | Tedalinab | Drug Info | Phase 1 | Pain | [13] | |
| Patented Agent(s) | [+] 8 Patented Agents | + | ||||
| 1 | Isoquinoline derivative 1 | Drug Info | Patented | Neuropathic pain | [14] | |
| 2 | Isoquinoline derivative 2 | Drug Info | Patented | Neuropathic pain | [14] | |
| 3 | N,N-methylenebis-2-phenylacetamide and benzenesulfonamide derivative 1 | Drug Info | Patented | Osteoporosis | [14] | |
| 4 | N,N-methylenebis-2-phenylacetamide and benzenesulfonamide derivative 3 | Drug Info | Patented | Osteoporosis | [14] | |
| 5 | PMID27215781-Compound-28 | Drug Info | Patented | Endometriosis | [14] | |
| 6 | PMID27215781-Compound-37 | Drug Info | Patented | Prostate cancer | [14] | |
| 7 | Tricyclic phytocannabinoid derivative 1 | Drug Info | Patented | Neuropathic pain | [14] | |
| 8 | Tricyclic phytocannabinoid derivative 2 | Drug Info | Patented | Neuropathic pain | [14] | |
| Discontinued Drug(s) | [+] 6 Discontinued Drugs | + | ||||
| 1 | KN-38-7271 | Drug Info | Discontinued in Phase 2 | Ischemia | [15] | |
| 2 | PRS-211375 iv | Drug Info | Discontinued in Phase 2 | Pain | [16], [17] | |
| 3 | TAK-937 | Drug Info | Discontinued in Phase 1 | Cerebrovascular ischaemia | [18] | |
| 4 | AM-577 | Drug Info | Terminated | Pain | [19] | |
| 5 | PRS-639058 | Drug Info | Terminated | Neuropathic pain | [17] | |
| 6 | PXS-2076 | Drug Info | Terminated | Rheumatoid arthritis | [20] | |
| Mode of Action | [+] 4 Modes of Action | + | ||||
| Agonist | [+] 31 Agonist drugs | + | ||||
| 1 | Guanfacine extended release | Drug Info | [1] | |||
| 2 | 842166X | Drug Info | [22] | |||
| 3 | APD371 | Drug Info | [7] | |||
| 4 | KHK-6188 | Drug Info | [24] | |||
| 5 | LY-2828360 | Drug Info | [24] | |||
| 6 | S-777469 | Drug Info | [11] | |||
| 7 | Tedalinab | Drug Info | [25] | |||
| 8 | Adamantyl derivative 1 | Drug Info | [14] | |||
| 9 | Carbazole-3-carboxamide analog 1 | Drug Info | [14] | |||
| 10 | Cyano(dimethyl)methyl isoxazoles and [1,3,4]-thiadiazoles derivative 1 | Drug Info | [14] | |||
| 11 | PMID27215781-Compound-19 | Drug Info | [14] | |||
| 12 | PMID27215781-Compound-25 | Drug Info | [14] | |||
| 13 | PMID27215781-Compound-27 | Drug Info | [14] | |||
| 14 | PMID27215781-Compound-28 | Drug Info | [14] | |||
| 15 | PMID27215781-Compound-30 | Drug Info | [14] | |||
| 16 | PMID27215781-Compound-31 | Drug Info | [14] | |||
| 17 | PMID27215781-Compound-4 | Drug Info | [14] | |||
| 18 | PRS-211375 iv | Drug Info | [27] | |||
| 19 | AM-577 | Drug Info | [29] | |||
| 20 | PRS-639058 | Drug Info | [30] | |||
| 21 | PXS-2076 | Drug Info | [31] | |||
| 22 | AR-XYZ | Drug Info | [31] | |||
| 23 | JWH-051 | Drug Info | [31] | |||
| 24 | L-759,633 | Drug Info | [31] | |||
| 25 | L-759,656 | Drug Info | [31] | |||
| 26 | MDA-19 | Drug Info | [31] | |||
| 27 | RQ-00202730 | Drug Info | [31] | |||
| 28 | Sch-036 | Drug Info | [31] | |||
| 29 | [3H]CP55940 | Drug Info | [65], [66] | |||
| 30 | [3H]HU-243 | Drug Info | [67] | |||
| 31 | [3H]WIN55212-2 | Drug Info | [68] | |||
| Inhibitor | [+] 137 Inhibitor drugs | + | ||||
| 1 | NABILONE | Drug Info | [21] | |||
| 2 | WIN-55212-2 | Drug Info | [32] | |||
| 3 | (1R,2R)-N-Arachidonoylcyclopropanolamide | Drug Info | [33] | |||
| 4 | (1R,2S)-N-Arachidonoylcyclopropanolamide | Drug Info | [33] | |||
| 5 | (1R,2S)-N-Oleoylcyclopropanolamide | Drug Info | [33] | |||
| 6 | (1S,2S)-N-Arachidonoylcyclopropanolamide | Drug Info | [33] | |||
| 7 | (1S,2S)-N-Oleoylcyclopropanolamide | Drug Info | [33] | |||
| 8 | (2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 9 | (2R)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3',4'-DIHYDROSPIRO[CYCLOHEXANE-1,2'-PYRANO[2,3-B]PYRIDINE]-4'-YL)-2-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 10 | (2S)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3',4'-DIHYDROSPIRO[CYCLOHEXANE-1,2'-PYRANO[2,3-B]PYRIDINE]-4'-YL)-2-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 11 | (4-benzhydrylpiperazin-1-yl)(cyclohexyl)methanone | Drug Info | [35] | |||
| 12 | (E)-N-(4-methoxyphenethyl)undec-2-enamide | Drug Info | [36] | |||
| 13 | (E)-N-(4-methoxyphenyl)undec-2-enamide | Drug Info | [36] | |||
| 14 | 2'-amino-4-(1,1-dimethyl-heptyl)-biphenyl-2-ol | Drug Info | [37] | |||
| 15 | 2-(2-Methoxybenzyl)-3H-benzo[f]chromen-3-one | Drug Info | [38] | |||
| 16 | 3'-amino-4-(1,1-dimethyl-heptyl)-biphenyl-2-ol | Drug Info | [37] | |||
| 17 | 3-benzoyl-1-pentyl-1,4-dihydroquinolin-4-one | Drug Info | [39] | |||
| 18 | 3-Benzyl-5-isopropyl-8-methylchromen-2-one | Drug Info | [38] | |||
| 19 | 4'-amino-4-(1,1-dimethyl-heptyl)-biphenyl-2-ol | Drug Info | [37] | |||
| 20 | 4-(1,1-dimethyl-heptyl)-2'-methoxy-biphenyl-2-ol | Drug Info | [37] | |||
| 21 | 4-(1,1-dimethyl-heptyl)-3'-methoxy-biphenyl-2-ol | Drug Info | [37] | |||
| 22 | 4-benzhydryl-N-butylpiperazine-1-carboxamide | Drug Info | [35] | |||
| 23 | 4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide | Drug Info | [35] | |||
| 24 | 5-(1,1-dimethyl-heptyl)-2-pyridin-3-yl-phenol | Drug Info | [37] | |||
| 25 | 5-Biphenyl-4-ylmethyl-1-isobutyl-1H-tetrazole | Drug Info | [40] | |||
| 26 | 5-Biphenyl-4-ylmethyl-2-isobutyl-2H-tetrazole | Drug Info | [40] | |||
| 27 | 5-Methoxy-3-(2-methoxybenzyl)-2H-chromen-2-one | Drug Info | [38] | |||
| 28 | 6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-CARBOXAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 29 | 6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-((R)-1-HYDROXYETHYL)-1,2,2-TRIMETHYL-1,2,3,4-TETRAHYDRO-1,8-NAPHTHYRIDINE-4-CARBOXAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 30 | 6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYDROXY-2-METHYLPROPAN-2-YL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-CARBOXAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 31 | 6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDROXYMETHYL)-1,2,2-TRIMETHYL-1,2,3,4-TETRAHYDRO-1,8-NAPHTHYRIDINE-4-CARBOXAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 32 | A-796260 | Drug Info | [41] | |||
| 33 | AM-1241 | Drug Info | [41] | |||
| 34 | AM-1710 | Drug Info | [42] | |||
| 35 | AM-1714 | Drug Info | [42] | |||
| 36 | AM-1715 | Drug Info | [42] | |||
| 37 | AM-404 | Drug Info | [43] | |||
| 38 | AM-411 | Drug Info | [44] | |||
| 39 | AM-4768 | Drug Info | [42] | |||
| 40 | AM-630 | Drug Info | [45] | |||
| 41 | DELTA 8-TETRAHYDROCANNOBINOL | Drug Info | [46] | |||
| 42 | Dodeca-2E,4E-dienoic acid isobutylamide | Drug Info | [47] | |||
| 43 | GNF-PF-5188 | Drug Info | [48] | |||
| 44 | JWH-120 | Drug Info | [48] | |||
| 45 | JWH-133 | Drug Info | [49] | |||
| 46 | JWH-145 | Drug Info | [50] | |||
| 47 | JWH-146 | Drug Info | [50] | |||
| 48 | JWH-147 | Drug Info | [50] | |||
| 49 | JWH-150 | Drug Info | [50] | |||
| 50 | JWH-151 | Drug Info | [48] | |||
| 51 | JWH-156 | Drug Info | [50] | |||
| 52 | JWH-167 | Drug Info | [51] | |||
| 53 | JWH-201 | Drug Info | [51] | |||
| 54 | JWH-202 | Drug Info | [51] | |||
| 55 | JWH-203 | Drug Info | [51] | |||
| 56 | JWH-204 | Drug Info | [51] | |||
| 57 | JWH-207 | Drug Info | [51] | |||
| 58 | JWH-208 | Drug Info | [51] | |||
| 59 | JWH-229 | Drug Info | [48] | |||
| 60 | JWH-237 | Drug Info | [51] | |||
| 61 | JWH-244 | Drug Info | [50] | |||
| 62 | JWH-245 | Drug Info | [50] | |||
| 63 | JWH-249 | Drug Info | [51] | |||
| 64 | JWH-250 | Drug Info | [51] | |||
| 65 | JWH-251 | Drug Info | [51] | |||
| 66 | JWH-252 | Drug Info | [51] | |||
| 67 | JWH-253 | Drug Info | [51] | |||
| 68 | JWH-268 | Drug Info | [48] | |||
| 69 | JWH-292 | Drug Info | [50] | |||
| 70 | JWH-293 | Drug Info | [50] | |||
| 71 | JWH-294 | Drug Info | [52] | |||
| 72 | JWH-295 | Drug Info | [52] | |||
| 73 | JWH-296 | Drug Info | [52] | |||
| 74 | JWH-302 | Drug Info | [51] | |||
| 75 | JWH-303 | Drug Info | [51] | |||
| 76 | JWH-305 | Drug Info | [51] | |||
| 77 | JWH-306 | Drug Info | [51] | |||
| 78 | JWH-307 | Drug Info | [50] | |||
| 79 | JWH-308 | Drug Info | [50] | |||
| 80 | JWH-309 | Drug Info | [50] | |||
| 81 | JWH-311 | Drug Info | [51] | |||
| 82 | JWH-312 | Drug Info | [51] | |||
| 83 | JWH-313 | Drug Info | [51] | |||
| 84 | JWH-315 | Drug Info | [51] | |||
| 85 | JWH-323 | Drug Info | [52] | |||
| 86 | JWH-325 | Drug Info | [52] | |||
| 87 | JWH-342 | Drug Info | [52] | |||
| 88 | JWH-343 | Drug Info | [52] | |||
| 89 | JWH-344 | Drug Info | [52] | |||
| 90 | JWH-345 | Drug Info | [52] | |||
| 91 | JWH-346 | Drug Info | [50] | |||
| 92 | JWH-347 | Drug Info | [50] | |||
| 93 | JWH-364 | Drug Info | [50] | |||
| 94 | JWH-365 | Drug Info | [50] | |||
| 95 | JWH-366 | Drug Info | [50] | |||
| 96 | JWH-367 | Drug Info | [50] | |||
| 97 | JWH-368 | Drug Info | [50] | |||
| 98 | JWH-370 | Drug Info | [50] | |||
| 99 | JWH-371 | Drug Info | [50] | |||
| 100 | JWH-372 | Drug Info | [50] | |||
| 101 | JWH-373 | Drug Info | [50] | |||
| 102 | JWH-385 | Drug Info | [52] | |||
| 103 | JWH-392 | Drug Info | [52] | |||
| 104 | JWH-401 | Drug Info | [52] | |||
| 105 | JWH-403 | Drug Info | [52] | |||
| 106 | JWH-404 | Drug Info | [52] | |||
| 107 | JWH-405 | Drug Info | [52] | |||
| 108 | JWH-406 | Drug Info | [52] | |||
| 109 | JWH-407 | Drug Info | [52] | |||
| 110 | JWH-440 | Drug Info | [53] | |||
| 111 | JWH-442 | Drug Info | [53] | |||
| 112 | KM-233 | Drug Info | [54] | |||
| 113 | KM-233-M | Drug Info | [54] | |||
| 114 | N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide | Drug Info | [43] | |||
| 115 | N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide | Drug Info | [45] | |||
| 116 | N-(3-Phenyl)propyl-2-(4-bromophenylacetamide) | Drug Info | [55] | |||
| 117 | N-(4-hydroxybenzyl)icosa-5,8,11,14-tetraenamide | Drug Info | [43] | |||
| 118 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYACETAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 119 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-3-HYDROXY-2,2-DIMETHYLPROPANAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 120 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-3-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 121 | N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3',4'-DIHYDROSPIRO[CYCLOHEXANE-1,2'-PYRANO[2,3-B]PYRIDINE]-4'-YL)-2-HYDROXY-2-METHYLPROPANAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 122 | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYACETAMIDE (ENANTIOMERIC MIX) | Drug Info | [34] | |||
| 123 | N-arachidonoyl-N-(2-hydroxyethyl)hydroxylamine | Drug Info | [56] | |||
| 124 | N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide | Drug Info | [57] | |||
| 125 | N-oleoyl-N-(2-hydroxyethyl)hydroxylamine | Drug Info | [56] | |||
| 126 | N-oleoyl-O-(2-hydroxyethyl)hydroxylamine | Drug Info | [56] | |||
| 127 | N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-YL]-4,4,4-TRIFLUORO-3-HYDROXYBUTANAMIDE (DIASTEREOMERIC MIX) | Drug Info | [58] | |||
| 128 | N1-(4-bromophenyl)-N2,N2-dipentylphthalamide | Drug Info | [48] | |||
| 129 | NAPHTHYRIDINONE | Drug Info | [59] | |||
| 130 | O-arachidonoyl-N-(2-hydroxyethyl)hydroxylamine | Drug Info | [56] | |||
| 131 | O-oleoyl-N-(2-hydroxyethyl)hydroxylamine | Drug Info | [56] | |||
| 132 | PRAVADOLINE | Drug Info | [60] | |||
| 133 | Rac-cis-N-arachidonoylcyclopropanolamide | Drug Info | [33] | |||
| 134 | Rac-trans-N-oleoylcyclopropanolamide | Drug Info | [33] | |||
| 135 | SCH-225336 | Drug Info | [61] | |||
| 136 | SCH-356036 | Drug Info | [62] | |||
| 137 | VER-156084 | Drug Info | [64] | |||
| Modulator | [+] 3 Modulator drugs | + | ||||
| 1 | GW-42004 | Drug Info | [23] | |||
| 2 | KN-38-7271 | Drug Info | [26] | |||
| 3 | TAK-937 | Drug Info | [28] | |||
| Antagonist | [+] 1 Antagonist drugs | + | ||||
| 1 | SR144528 | Drug Info | [63] | |||
| Cell-based Target Expression Variations | Top | |||||
|---|---|---|---|---|---|---|
| Cell-based Target Expression Variations | ||||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | PDB:6PT0 | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [69] |
| PDB Sequence |
MKDYMILSGP
31 QKTAVAVLCT41 LLGLLSALEN51 VAVLYLILSS61 HQLRRKPSYL71 FIGSLAGADF 81 LASVVFACSF91 VNFHVFHGVD101 SKAVFLLKIG111 SVTMTFTASV121 GSLLLTAIDR 131 YLCLRYPPSY141 KALLTRGRAL151 VTLGIMWVLS161 ALVSYLPLMG171 WTCCPRPCSE 181 LFPLIPNDYL191 LSWLLFIAFL201 FSGIIYTYGH211 VLWKAHQHVA221 SLSGHQDRQV 231 PGMARMRLDV241 RLAKTLGLVL251 AVLLICWFPV261 LALMAHSLAT271 TLSDQVKKAF 281 AFCSMLCLIN291 SMVNPVIYAL301 RSGEIRSSAH311 HCLAHWKK
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PHE72
4.198
LEU126
3.744
ILE129
3.763
ASP130
4.225
LEU133
3.751
TYR137
4.026
LEU144
3.601
LEU145
3.765
ARG149
3.892
THR153
3.743
GLY210
3.332
HIS211
4.680
LEU213
3.601
TRP214
3.720
HIS217
3.923
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| Ligand Name: WIN-55212-2 | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | PDB:6PT0 | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [69] |
| PDB Sequence |
MKDYMILSGP
31 QKTAVAVLCT41 LLGLLSALEN51 VAVLYLILSS61 HQLRRKPSYL71 FIGSLAGADF 81 LASVVFACSF91 VNFHVFHGVD101 SKAVFLLKIG111 SVTMTFTASV121 GSLLLTAIDR 131 YLCLRYPPSY141 KALLTRGRAL151 VTLGIMWVLS161 ALVSYLPLMG171 WTCCPRPCSE 181 LFPLIPNDYL191 LSWLLFIAFL201 FSGIIYTYGH211 VLWKAHQHVA221 SLSGHQDRQV 231 PGMARMRLDV241 RLAKTLGLVL251 AVLLICWFPV261 LALMAHSLAT271 TLSDQVKKAF 281 AFCSMLCLIN291 SMVNPVIYAL301 RSGEIRSSAH311 HCLAHWKK
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PHE87
3.513
SER90
3.216
PHE91
3.993
PHE94
3.440
HIS95
4.954
PHE106
4.752
ILE110
3.725
VAL113
4.389
THR114
3.291
PHE117
4.655
PRO168
4.946
LEU182
4.379
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| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Pathway Affiliation
of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function.
Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes
(Pharmacol Rev, 58: 259-279, 2006).
Human Similarity Proteins
Human Pathway Affiliation
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| KEGG Pathway | Pathway ID | Affiliated Target | Pathway Map |
|---|---|---|---|
| Neuroactive ligand-receptor interaction | hsa04080 | Affiliated Target |
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| Class: Environmental Information Processing => Signaling molecules and interaction | Pathway Hierarchy | ||
| Chemical Structure based Activity Landscape of Target | Top |
|---|---|
| Drug Property Profile of Target | Top | |
|---|---|---|
| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Co-Targets | Top | |||||
|---|---|---|---|---|---|---|
| Co-Targets | ||||||
| Target Poor or Non Binders | Top | |||||
|---|---|---|---|---|---|---|
| Target Poor or Non Binders | ||||||
| Target Regulators | Top | |||||
|---|---|---|---|---|---|---|
| Target-regulating microRNAs | ||||||
| Target Profiles in Patients | Top | |||||
|---|---|---|---|---|---|---|
| Target Expression Profile (TEP) | ||||||
| Target Affiliated Biological Pathways | Top | |||||
|---|---|---|---|---|---|---|
| KEGG Pathway | [+] 1 KEGG Pathways | + | ||||
| 1 | Neuroactive ligand-receptor interaction | |||||
| Reactome | [+] 2 Reactome Pathways | + | ||||
| 1 | Class A/1 (Rhodopsin-like receptors) | |||||
| 2 | G alpha (i) signalling events | |||||
| WikiPathways | [+] 4 WikiPathways | + | ||||
| 1 | GPCRs, Class A Rhodopsin-like | |||||
| 2 | Small Ligand GPCRs | |||||
| 3 | GPCR ligand binding | |||||
| 4 | GPCR downstream signaling | |||||
| Target-Related Models and Studies | Top | |||||
|---|---|---|---|---|---|---|
| Target Validation | ||||||
| Target QSAR Model | ||||||
| References | Top | |||||
|---|---|---|---|---|---|---|
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