Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0T5WR
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| Former ID |
DNC005998
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| Drug Name |
Bbs-Arg-(D-Pip)-Gly-(EQKLISEEDL)-Gly-Hir
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| Synonyms |
CHEMBL414125; Bbs-Arg-(D-Pip)-Gly-(EQKLISEEDL)-Gly-Hir
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C142H215N31O50S
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| Canonical SMILES |
CCC(C)CC(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C4CCCCN4C(=O)C(CCCN=C(N)N)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C
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| InChI |
1S/C142H215N31O50S/c1-14-75(9)64-96(165-129(209)95(63-74(7)8)163-119(199)82(27-19-21-57-143)153-121(201)84(39-48-104(144)176)154-120(200)83(41-50-108(180)181)151-106(178)70-150-136(216)102-29-20-22-59-172(102)138(218)91(28-23-58-148-141(146)147)171-224(222,223)81-37-33-79(34-38-81)142(11,12)13)130(210)169-101(71-174)135(215)159-86(43-52-110(184)185)123(203)155-88(45-54-112(188)189)126(206)168-100(68-116(196)197)134(214)162-93(61-72(3)4)118(198)149-69-107(179)152-99(67-115(194)195)133(213)167-97(65-77-25-17-16-18-26-77)131(211)158-85(42-51-109(182)183)122(202)157-90(47-56-114(192)193)127(207)170-117(76(10)15-2)139(219)173-60-24-30-103(173)137(217)160-89(46-55-113(190)191)124(204)156-87(44-53-111(186)187)125(205)166-98(66-78-31-35-80(175)36-32-78)132(212)164-94(62-73(5)6)128(208)161-92(140(220)221)40-49-105(145)177/h16-18,25-26,31-38,72-76,82-103,117,171,174-175H,14-15,19-24,27-30,39-71,143H2,1-13H3,(H2,144,176)(H2,145,177)(H,149,198)(H,150,216)(H,151,178)(H,152,179)(H,153,201)(H,154,200)(H,155,203)(H,156,204)(H,157,202)(H,158,211)(H,159,215)(H,160,217)(H,161,208)(H,162,214)(H,163,199)(H,164,212)(H,165,209)(H,166,205)(H,167,213)(H,168,206)(H,169,210)(H,170,207)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,220,221)(H4,146,147,148)/t75-,76-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103-,117-/m0/s1
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| InChIKey |
GEUGFPVPSWNWIJ-JOTHITJKSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
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| REF 1 | Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. | |||
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