Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0KQ1K
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| Former ID |
DNC005997
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| Drug Name |
Bbs-Arg-(D-Pip)-Gly-(SPH(pY)EKVS)-Gly-Hir
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| Indication | Discovery agent | Investigative | [527780] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C132H191N30O46PS
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| Canonical SMILES |
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C<br />(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)<br />C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC<br />=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(C(C)C)<br />NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)OP<br />(=O)(O)O)NC(=O)C(CC5=CNC=N5)NC(=O)C6CCCN6C(=O)C(CO)NC(=<br />O)CNC(=O)C7CCCCN7C(=O)C(CCCN=C(N)N)NS(=O)(=O)C8=CC=C(C=<br />C8)C(C)(C)C
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| InChI |
1S/C132H191N30O46PS/c1-10-71(6)109(129(200)162-56-20-27-98(162)124(195)149-84(44-50-105(175)176)113(184)145-83(43-49-104(173)174)114(185)152-91(59-73-28-34-77(165)35-29-73)120(191)151-88(57-69(2)3)117(188)150-87(130(201)202)40-46-99(134)166)158-116(187)85(45-51-106(177)178)146-112(183)82(42-48-103(171)172)148-118(189)89(58-72-21-12-11-13-22-72)154-122(193)93(62-107(179)180)142-100(167)64-139-110(181)94(66-163)156-126(197)108(70(4)5)157-115(186)80(23-14-16-52-133)144-111(182)81(41-47-102(169)170)147-119(190)90(60-74-30-36-78(37-31-74)208-209(203,204)205)153-121(192)92(61-76-63-137-68-141-76)155-125(196)97-26-19-55-161(97)128(199)95(67-164)143-101(168)65-140-123(194)96-25-15-17-54-160(96)127(198)86(24-18-53-138-131(135)136)159-210(206,207)79-38-32-75(33-39-79)132(7,8)9/h11-13,21-22,28-39,63,68-71,80-98,108-109,159,163-165H,10,14-20,23-27,40-62,64-67,133H2,1-9H3,(H2,134,166)(H,137,141)(H,139,181)(H,140,194)(H,142,167)(H,143,168)(H,144,182)(H,145,184)(H,146,183)(H,147,190)(H,148,189)(H,149,195)(H,150,188)(H,151,191)(H,152,185)(H,153,192)(H,154,193)(H,155,196)(H,156,197)(H,157,186)(H,158,187)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,201,202)(H4,135,136,138)(H2,203,204,205)/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 |
RUWSMOQBPSRIJB-OZHMLDCXSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Coagulation factor IIa | Target Info | Inhibitor | [527780] | |
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | Blood coagulation | ||||
| PathWhiz Pathway | Vitamin K Metabolism | ||||
| Coagulation | |||||
| Reactome | Intrinsic Pathway of Fibrin Clot Formation | ||||
| Common Pathway of Fibrin Clot Formation | |||||
| Gamma-carboxylation of protein precursors | |||||
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus | |||||
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | |||||
| Cell surface interactions at the vascular wall | |||||
| Peptide ligand-binding receptors | |||||
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||||
| G alpha (q) signalling events | |||||
| Thrombin signalling through proteinase activated receptors (PARs) | |||||
| WikiPathways | Complement and Coagulation Cascades | ||||
| Regulation of Actin Cytoskeleton | |||||
| IL1 and megakaryotyces in obesity | |||||
| Regulation of Insulin-like Growth Factor (IGF) Transport and Uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||||
| PTM: gamma carboxylation, hypusine formation and arylsulfatase activation | |||||
| Blood Clotting Cascade | |||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Thrombin signalling through proteinase activated receptors (PARs) | |||||
| Platelet Aggregation (Plug Formation) | |||||
| GPCR ligand binding | |||||
| GPCR downstream signaling | |||||
| Formation of Fibrin Clot (Clotting Cascade) | |||||
| Cell surface interactions at the vascular wall | |||||
| Folate Metabolism | |||||
| Vitamin B12 Metabolism | |||||
| Selenium Micronutrient Network | |||||
| References | |||||
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