Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04VYT
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| Former ID |
DNC005999
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| Drug Name |
Bbs-Arg-(D-Pip)-Gly-S-(GS)7-Gly-Hir
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| Indication | Discovery agent | Investigative | [527780] | ||
| Structure |
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Download2D MOL |
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| Formula |
C128H190N34O53S
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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)CNC(=O)C<br />(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(<br />CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(C<br />O)NC(=O)CNC(=O)C4CCCCN4C(=O)C(CCCN=C(N)N)NS(=O)(=O)C5=C<br />C=C(C=C5)C(C)(C)C
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| InChI |
1S/C128H190N34O53S/c1-8-64(4)105(125(211)162-41-15-20-89(162)123(209)154-72(32-37-102(186)187)115(201)151-71(31-36-101(184)185)116(202)157-78(44-66-21-25-68(171)26-22-66)120(206)156-76(42-63(2)3)118(204)155-75(126(212)213)29-34-90(129)172)159-117(203)73(33-38-103(188)189)152-114(200)70(30-35-100(182)183)153-119(205)77(43-65-16-10-9-11-17-65)158-121(207)79(45-104(190)191)142-91(173)46-133-106(192)80(55-163)143-92(174)47-134-107(193)81(56-164)144-93(175)48-135-108(194)82(57-165)145-94(176)49-136-109(195)83(58-166)146-95(177)50-137-110(196)84(59-167)147-96(178)51-138-111(197)85(60-168)148-97(179)52-139-112(198)86(61-169)149-98(180)53-140-113(199)87(62-170)150-99(181)54-141-122(208)88-19-12-13-40-161(88)124(210)74(18-14-39-132-127(130)131)160-216(214,215)69-27-23-67(24-28-69)128(5,6)7/h9-11,16-17,21-28,63-64,70-89,105,160,163-171H,8,12-15,18-20,29-62H2,1-7H3,(H2,129,172)(H,133,192)(H,134,193)(H,135,194)(H,136,195)(H,137,196)(H,138,197)(H,139,198)(H,140,199)(H,141,208)(H,142,173)(H,143,174)(H,144,175)(H,145,176)(H,146,177)(H,147,178)(H,148,179)(H,149,180)(H,150,181)(H,151,201)(H,152,200)(H,153,205)(H,154,209)(H,155,204)(H,156,206)(H,157,202)(H,158,207)(H,159,203)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,212,213)(H4,130,131,132)/t64-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88?,89-,105-/m0/s1
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| InChIKey |
WEYFLOFTQVOIIG-JSWHDTCYSA-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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