Drug Information
Drug General Information | Top | |||
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Drug ID |
D0P0LG
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Former ID |
DNC005996
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Drug Name |
Bbs-Arg-(D-Pip)-Gly-(SPHYEKVS)-Gly-Hir
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C132H190N30O43S
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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)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCCN6C(=O)C(CO)NC(=O)CNC(=O)C7CCCCN7C(=O)C(CCCN=C(N)N)NS(=O)(=O)C8=CC=C(C=C8)C(C)(C)C
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InChI |
1S/C132H190N30O43S/c1-10-71(6)109(129(201)162-56-20-27-98(162)124(196)149-84(44-50-105(176)177)113(185)145-83(43-49-104(174)175)114(186)152-91(60-74-30-36-78(166)37-31-74)120(192)151-88(57-69(2)3)117(189)150-87(130(202)203)40-46-99(134)167)158-116(188)85(45-51-106(178)179)146-112(184)82(42-48-103(172)173)148-118(190)89(58-72-21-12-11-13-22-72)154-122(194)93(62-107(180)181)142-100(168)64-139-110(182)94(66-163)156-126(198)108(70(4)5)157-115(187)80(23-14-16-52-133)144-111(183)81(41-47-102(170)171)147-119(191)90(59-73-28-34-77(165)35-29-73)153-121(193)92(61-76-63-137-68-141-76)155-125(197)97-26-19-55-161(97)128(200)95(67-164)143-101(169)65-140-123(195)96-25-15-17-54-160(96)127(199)86(24-18-53-138-131(135)136)159-206(204,205)79-38-32-75(33-39-79)132(7,8)9/h11-13,21-22,28-39,63,68-71,80-98,108-109,159,163-166H,10,14-20,23-27,40-62,64-67,133H2,1-9H3,(H2,134,167)(H,137,141)(H,139,182)(H,140,195)(H,142,168)(H,143,169)(H,144,183)(H,145,185)(H,146,184)(H,147,191)(H,148,190)(H,149,196)(H,150,189)(H,151,192)(H,152,186)(H,153,193)(H,154,194)(H,155,197)(H,156,198)(H,157,187)(H,158,188)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,202,203)(H4,135,136,138)/t71-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,108-,109-/m0/s1
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InChIKey |
GRDGGKZCNFVXJO-OZHMLDCXSA-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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