Target Information
| Target General Information | Top | |||||
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| Target ID |
T72458
(Former ID: TTDC00072)
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| Target Name |
Melanocortin receptor 4 (MC4R)
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| Synonyms |
MC4-R
Click to Show/Hide
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| Gene Name |
MC4R
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| Target Type |
Successful target
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[1] | ||||
| Disease | [+] 3 Target-related Diseases | + | ||||
| 1 | Hypoactive sexual desire dysfunction [ICD-11: HA00] | |||||
| 2 | Large intestine motility disorder [ICD-11: DB32] | |||||
| 3 | Obesity [ICD-11: 5B80-5B81] | |||||
| Function |
Plays a central role in energy homeostasis and somatic growth. This receptor is mediated by G proteins that stimulate adenylate cyclase (cAMP). Receptor specific to the heptapeptide core common to adrenocorticotropic hormone and alpha-, beta-, and gamma-MSH.
Click to Show/Hide
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| BioChemical Class |
GPCR rhodopsin
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| UniProt ID | ||||||
| Sequence |
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLL
ENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVN IDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVS GILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGAN MKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPL IYALRSQELRKTFKEIICCYPLGGLCDLSSRY Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | AlphaFold | ||||
| HIT2.0 ID | T17TKM | |||||
| Drugs and Modes of Action | Top | |||||
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| Approved Drug(s) | [+] 1 Approved Drugs | + | ||||
| 1 | Methylnaltrexone bromide | Drug Info | Approved | Opioid-induced constipation | [4] | |
| Clinical Trial Drug(s) | [+] 4 Clinical Trial Drugs | + | ||||
| 1 | AMG 386 | Drug Info | Phase 3 | Neuropathic pain | [5] | |
| 2 | PF-446687 | Drug Info | Phase 2 | Female sexual arousal dysfunction | [6] | |
| 3 | PMX-53 | Drug Info | Phase 2 | Atopic dermatitis | [7], [8] | |
| 4 | AP-1030 | Drug Info | Phase 1/2 | Metabolic disorder | [9], [10] | |
| Discontinued Drug(s) | [+] 1 Discontinued Drugs | + | ||||
| 1 | PT-14 | Drug Info | Discontinued in Phase 2 | Erectile dysfunction | [12] | |
| Preclinical Drug(s) | [+] 3 Preclinical Drugs | + | ||||
| 1 | IDDBCP-150101 | Drug Info | Preclinical | Sexual dysfunction | [1] | |
| 2 | Melanotetan II | Drug Info | Preclinical | Type-2 diabetes | [1] | |
| 3 | Ro-27-3225 | Drug Info | Preclinical | Obesity | [1] | |
| Mode of Action | [+] 4 Modes of Action | + | ||||
| Agonist | [+] 9 Agonist drugs | + | ||||
| 1 | Methylnaltrexone bromide | Drug Info | [1] | |||
| 2 | Amylin | Drug Info | [13] | |||
| 3 | AMG 386 | Drug Info | [1] | |||
| 4 | PT-14 | Drug Info | [17] | |||
| 5 | IDDBCP-150101 | Drug Info | [1] | |||
| 6 | Melanotetan II | Drug Info | [1] | |||
| 7 | Ro-27-3225 | Drug Info | [1] | |||
| 8 | AMSH | Drug Info | [23] | |||
| 9 | THIQ | Drug Info | [24] | |||
| Modulator | [+] 2 Modulator drugs | + | ||||
| 1 | PF-446687 | Drug Info | [14] | |||
| 2 | AP-1030 | Drug Info | [16] | |||
| Inhibitor | [+] 55 Inhibitor drugs | + | ||||
| 1 | PMX-53 | Drug Info | [15] | |||
| 2 | 1-Benzyl-4-methyl-piperazine | Drug Info | [18] | |||
| 3 | 1-Methyl-4-(1-phenyl-ethyl)-piperazine | Drug Info | [18] | |||
| 4 | 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | Drug Info | [19] | |||
| 5 | Ac-dR[CEHdFRWC]-NH2 | Drug Info | [20] | |||
| 6 | Ac-His-D-Phe-Arg-2-Nal-NHCH3 | Drug Info | [21] | |||
| 7 | Ac-Nle-c[Asp-His-DNal(2')-Pro-Trp-Lys]-NH2 | Drug Info | [22] | |||
| 8 | AC-Nle-c[Asp-His-DPhe-Pro-Trp-Lys]-NH2 | Drug Info | [22] | |||
| 9 | Ac-R[CEHdFRWC]-NH2 | Drug Info | [20] | |||
| 10 | Ac-Tyr-D-Phe-Arg-2-Nal-NHCH3 | Drug Info | [21] | |||
| 11 | Ac-YK[CEHdFRWC]-NH2 | Drug Info | [20] | |||
| 12 | Ac-YRMEHdFRWG-NH2 | Drug Info | [20] | |||
| 13 | Ac-YRMEHdFRWGSPPKD-NH2 | Drug Info | [20] | |||
| 14 | Ac-YR[CE(1-Me-H)dFRWC]-NH2 | Drug Info | [20] | |||
| 15 | Ac-YR[CEH(d-2alpha-Nal)RWC]-NH2 | Drug Info | [20] | |||
| 16 | Ac-YR[CEH(pCl-dF)RWC]-NH2 | Drug Info | [20] | |||
| 17 | Ac-YR[CEHdFRWC]-NH2 | Drug Info | [20] | |||
| 18 | Ac-YR[CEHdFRWC]SPPKD-NH2 | Drug Info | [20] | |||
| 19 | Ac-YR[CEHFRWC]-NH2 | Drug Info | [20] | |||
| 20 | Ac-[CEHdFRWC]-NH2 | Drug Info | [20] | |||
| 21 | AEKKDEGPYRMEHFRWGSPPKD | Drug Info | [20] | |||
| 22 | C(his-D-phe-arg-trp-Abu) | Drug Info | [25] | |||
| 23 | C(his-D-phe-arg-trp-Ahp) | Drug Info | [25] | |||
| 24 | C(his-D-phe-arg-trp-Ahx) | Drug Info | [25] | |||
| 25 | C(his-D-phe-arg-trp-Aoc) | Drug Info | [25] | |||
| 26 | C[CO-(CH2)2-CO-Nle-D-Phe-Arg-Trp-Lys]-NH2 | Drug Info | [26] | |||
| 27 | C[CO-(CH2)3-CO-Pro-D-Nal(2)-Arg-Trp-Lys]-NH2 | Drug Info | [26] | |||
| 28 | C[CO-o-C6H4-CO-Pro-D-Nal(2)-Arg-Trp-Lys]-NH2 | Drug Info | [26] | |||
| 29 | C[CO-o-C6H4-CO-Pro-D-Phe-Arg-Trp-Lys]-NH2 | Drug Info | [26] | |||
| 30 | C[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 31 | C[Nle-Arg-D-Phe-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 32 | C[Nle-Asp-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 33 | C[Nle-Asp-D-Phe-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 34 | C[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 35 | C[Nle-Glu-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 36 | C[Nle-His-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 37 | C[Nle-His-D-Phe-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 38 | C[Nle-Nle-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 39 | C[Nle-Nle-D-Phe-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 40 | C[Nle-Pro-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 41 | C[Nle-Val-D-Nal(2')-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 42 | C[Nle-Val-D-Phe-Arg-Trp-Glu]-NH2 | Drug Info | [27] | |||
| 43 | C[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-Ile-Pro] | Drug Info | [28] | |||
| 44 | C[Thr-Tyr-Thr-His-DNaf-Arg-Trp-Thr-Ile-Pro] | Drug Info | [28] | |||
| 45 | D-Phe-Arg-2-Nal-NHCH3 | Drug Info | [29] | |||
| 46 | GPYRMEHFRWGSPPKD-NH2 | Drug Info | [20] | |||
| 47 | His-DPhe-Arg-Trp | Drug Info | [30] | |||
| 48 | Hoo-Phe-Orn-Pro-hle-Pff-Phe-NH2 | Drug Info | [15] | |||
| 49 | MK-10 | Drug Info | [33] | |||
| 50 | MK-11 | Drug Info | [33] | |||
| 51 | ML-253764 | Drug Info | [28] | |||
| 52 | NDP-alpha-MSH | Drug Info | [34] | |||
| 53 | NDP-SYSMEHFRWGKPVG | Drug Info | [20] | |||
| 54 | Ser-Tyr-Ser-Nle-Glu-His-Dphe-Arg | Drug Info | [30] | |||
| 55 | Tic-D-Phe-Arg-2-Nal-NHCH3 | Drug Info | [35] | |||
| Antagonist | [+] 4 Antagonist drugs | + | ||||
| 1 | BL-6020 | Drug Info | [24] | |||
| 2 | HS014 | Drug Info | [31] | |||
| 3 | MCL0129 | Drug Info | [24] | |||
| 4 | Melanocortin-4 Receptor antagonist | Drug Info | [32] | |||
| Cell-based Target Expression Variations | Top | |||||
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| Cell-based Target Expression Variations | ||||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: THIQ | Ligand Info | |||||
| Structure Description | Cryo-EM structure of THIQ-MC4R-Gs_Nb35 complex | PDB:7F58 | ||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | Yes | [36] |
| PDB Sequence |
GCYEQLFVSP
48 EVFVTLGVIS58 LLENILVIVA68 IAKNKNLHSP78 MYFFICSLAV88 ADMLVSVSNG 98 SETIVITLLN108 STSFTVNIDN123 VIDSVICSSL133 LASICSLLSI143 AVDRYFTIFY 153 ALQYHNIMTV163 KRVGIIISCI173 WAACTVSGIL183 FIIYSDSSAV193 IICLITMFFT 203 MLALMASLYV213 HMFLMARLHI223 KRIAVLPGTQ237 GANMKGAITL247 TILIGVFVVC 257 WAPFFLHLIF267 YISCPQNPYC277 VCFMSHFNLY287 LILIMCNSII297 DPLIYALRSQ 307 ELRKTFKEII317 CCY
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PHE45
3.380
PHE51
4.448
ASN97
3.977
GLU100
2.719
THR101
3.721
ILE104
3.547
ASN108
4.640
ASP122
4.804
ASP126
2.929
ILE129
3.590
CYS130
3.458
LEU133
3.959
PHE184
3.691
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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).
Biological Network Descriptors
of target is determined based on a human protein-protein interactions (PPI) network consisting of 9,309 proteins and 52,713 PPIs, which were with a high confidence score of ≥ 0.95 collected from STRING database.
The network properties of targets based on protein-protein interactions (PPIs) have been widely adopted for the assessment of target’s druggability. Proteins with high node degree tend to have a high impact on network function through multiple interactions, while proteins with high betweenness centrality are regarded to be central for communication in interaction networks and regulate the flow of signaling information
(Front Pharmacol, 9, 1245, 2018;
Curr Opin Struct Biol. 44:134-142, 2017).
Human Similarity Proteins
Human Pathway Affiliation
Biological Network Descriptors
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| KEGG Pathway | Pathway ID | Affiliated Target | Pathway Map |
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| Neuroactive ligand-receptor interaction | hsa04080 | Affiliated Target |
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| Class: Environmental Information Processing => Signaling molecules and interaction | Pathway Hierarchy | ||
| Degree | 4 | Degree centrality | 4.30E-04 | Betweenness centrality | 4.87E-06 |
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| Closeness centrality | 1.94E-01 | Radiality | 1.33E+01 | Clustering coefficient | 3.33E-01 |
| Neighborhood connectivity | 1.08E+01 | Topological coefficient | 3.09E-01 | Eccentricity | 13 |
| Download | Click to Download the Full PPI Network of This Target | ||||
| Chemical Structure based Activity Landscape of Target | Top |
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| Drug Property Profile of Target | Top | |
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| (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 | |||||
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| Co-Targets | ||||||
| Target Poor or Non Binders | Top | |||||
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| Target Poor or Non Binders | ||||||
| Target Profiles in Patients | Top | |||||
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| Target Expression Profile (TEP) | ||||||
| Target Affiliated Biological Pathways | Top | |||||
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| KEGG Pathway | [+] 1 KEGG Pathways | + | ||||
| 1 | Neuroactive ligand-receptor interaction | |||||
| PID Pathway | [+] 1 PID Pathways | + | ||||
| 1 | Syndecan-3-mediated signaling events | |||||
| Reactome | [+] 2 Reactome Pathways | + | ||||
| 1 | Peptide ligand-binding receptors | |||||
| 2 | G alpha (s) signalling events | |||||
| WikiPathways | [+] 4 WikiPathways | + | ||||
| 1 | GPCRs, Class A Rhodopsin-like | |||||
| 2 | Peptide GPCRs | |||||
| 3 | GPCR ligand binding | |||||
| 4 | GPCR downstream signaling | |||||
| Target-Related Models and Studies | Top | |||||
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| Target Validation | ||||||
| Target QSAR Model | ||||||
| References | Top | |||||
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| REF 1 | Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60. | |||||
| REF 2 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019 | |||||
| REF 3 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020 | |||||
| REF 4 | 2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6. | |||||
| REF 5 | Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26. | |||||
| REF 6 | ClinicalTrials.gov (NCT00862888) Study to Investigate Effect of a New Drug (PF-00446687) in Males Suffering From Erectile Dysfunction. U.S. National Institutes of Health. | |||||
| REF 7 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 579). | |||||
| REF 8 | PMX-53 as a dual CD88 antagonist and an agonist for Mas-related gene 2 (MrgX2) in human mast cells. Mol Pharmacol. 2011 Jun;79(6):1005-13. | |||||
| REF 9 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1322). | |||||
| REF 10 | ClinicalTrials.gov (NCT00464958) One Year Extension Study To Protocol C2/5/TZ:MS-05. U.S. National Institutes of Health. | |||||
| REF 11 | ClinicalTrials.gov (NCT04628793) A PHASE 1, RANDOMIZED, DOUBLE-BLIND, SPONSOR-OPEN, PLACEBO-CONTROLLED, FIRST-IN-HUMAN STUDY TO EVALUATE THE SAFETY, TOLERABILITY, AND PHARMACOKINETICS OF SINGLE ASCENDING ORAL DOSES OF PF-07258669 ADMINISTERED TO HEALTHY ADULT PARTICIPANTS. U.S.National Institutes of Health. | |||||
| REF 12 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010143) | |||||
| REF 13 | Novel anti-obesity drugs. Expert Opin Investig Drugs. 2000 Jun;9(6):1317-26. | |||||
| REF 14 | Melanocortin Receptor Agonists Facilitate Oxytocin-Dependent Partner Preference Formation in the Prairie Vole. Neuropsychopharmacology. 2015 Jul;40(8):1856-65. | |||||
| REF 15 | Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92. | |||||
| REF 16 | Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41. | |||||
| REF 17 | The protective effects of the melanocortin receptor (MCR) agonist, melanotan-II (MTII), against binge-like ethanol drinking are facilitated by deletion of the MC3 receptor in mice. Neuropeptides. 2014 Feb;48(1):47-51. | |||||
| REF 18 | Privileged structure based ligands for melanocortin receptors--substituted benzylic piperazine derivatives. Bioorg Med Chem Lett. 2005 Nov 15;15(22):4973-8. | |||||
| REF 19 | Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97. | |||||
| REF 20 | Discovery of a beta-MSH-derived MC-4R selective agonist. J Med Chem. 2005 May 5;48(9):3095-8. | |||||
| REF 21 | Design and synthesis of potent and selective 1,3,4-trisubstituted-2-oxopiperazine based melanocortin-4 receptor agonists. Bioorg Med Chem Lett. 2006 Sep 1;16(17):4668-73. | |||||
| REF 22 | Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 rece... J Med Chem. 2009 Jun 25;52(12):3627-35. | |||||
| REF 23 | Designing drugs for the treatment of female sexual dysfunction. Drug Discov Today. 2007 Sep;12(17-18):757-66. | |||||
| REF 24 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 285). | |||||
| REF 25 | Design of cyclic peptides with agonist activity at melanocortin receptor-4. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3723-6. | |||||
| REF 26 | Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 ... J Med Chem. 2008 Jan 24;51(2):187-95. | |||||
| REF 27 | Development of cyclic gamma-MSH analogues with selective hMC3R agonist and hMC3R/hMC5R antagonist activities. J Med Chem. 2006 Mar 23;49(6):1946-52. | |||||
| REF 28 | Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for... J Med Chem. 2006 Feb 9;49(3):911-22. | |||||
| REF 29 | Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic ap... J Med Chem. 2006 Jul 27;49(15):4745-61. | |||||
| REF 30 | Squalene-derived flexible linkers for bioactive peptides. Bioorg Med Chem Lett. 2007 Jun 15;17(12):3310-3. | |||||
| REF 31 | Long-term administration of MC4 receptor antagonist HS014 causes hyperphagia and obesity in rats. Neuroreport. 1999 Mar 17;10(4):707-11. | |||||
| REF 32 | Emerging drugs for eating disorder treatment. Expert Opin Emerg Drugs. 2006 May;11(2):315-36. | |||||
| REF 33 | Novel cyclic templates of alpha-MSH give highly selective and potent antagonists/agonists for human melanocortin-3/4 receptors. J Med Chem. 2002 Jun 6;45(12):2644-50. | |||||
| REF 34 | cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain... J Med Chem. 2008 Nov 27;51(22):7094-8. | |||||
| REF 35 | Synthesis of Tic-D-Phe Psi[CH2-CH2] isostere and its use in the development of melanocortin receptor agonists. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1721-5. | |||||
| REF 36 | Structural insights into ligand recognition and activation of the melanocortin-4 receptor. Cell Res. 2021 Nov;31(11):1163-1175. | |||||
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