Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07BJZ
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| Former ID |
DNC006001
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| Drug Name |
Bbs-Arg-(D-Pip)-Gly-S-(GS)11-Gly-Hir
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| Synonyms |
Bbs-Arg-(D-Pip)-Gly-S-(GS)11-Gly-Hir; CHEMBL438400
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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 |
C148H222N42O65S
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| Canonical SMILES |
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)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/C148H222N42O65S/c1-8-72(4)121(145(251)190-41-15-20-101(190)143(249)182-80(32-37-118(222)223)135(241)179-79(31-36-117(220)221)136(242)185-86(44-74-21-25-76(203)26-22-74)140(246)184-84(42-71(2)3)138(244)183-83(146(252)253)29-34-102(149)204)187-137(243)81(33-38-119(224)225)180-134(240)78(30-35-116(218)219)181-139(245)85(43-73-16-10-9-11-17-73)186-141(247)87(45-120(226)227)166-103(205)46-153-122(228)88(59-191)167-104(206)47-154-123(229)89(60-192)168-105(207)48-155-124(230)90(61-193)169-106(208)49-156-125(231)91(62-194)170-107(209)50-157-126(232)92(63-195)171-108(210)51-158-127(233)93(64-196)172-109(211)52-159-128(234)94(65-197)173-110(212)53-160-129(235)95(66-198)174-111(213)54-161-130(236)96(67-199)175-112(214)55-162-131(237)97(68-200)176-113(215)56-163-132(238)98(69-201)177-114(216)57-164-133(239)99(70-202)178-115(217)58-165-142(248)100-19-12-13-40-189(100)144(250)82(18-14-39-152-147(150)151)188-256(254,255)77-27-23-75(24-28-77)148(5,6)7/h9-11,16-17,21-28,71-72,78-101,121,188,191-203H,8,12-15,18-20,29-70H2,1-7H3,(H2,149,204)(H,153,228)(H,154,229)(H,155,230)(H,156,231)(H,157,232)(H,158,233)(H,159,234)(H,160,235)(H,161,236)(H,162,237)(H,163,238)(H,164,239)(H,165,248)(H,166,205)(H,167,206)(H,168,207)(H,169,208)(H,170,209)(H,171,210)(H,172,211)(H,173,212)(H,174,213)(H,175,214)(H,176,215)(H,177,216)(H,178,217)(H,179,241)(H,180,240)(H,181,245)(H,182,249)(H,183,244)(H,184,246)(H,185,242)(H,186,247)(H,187,243)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,252,253)(H4,150,151,152)/t72-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100?,101-,121-/m0/s1
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| InChIKey |
CZTBIQRSYJGOBZ-NBINKJFGSA-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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