Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0CV4F
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| Former ID |
DNC005993
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| Drug Name |
Bbs-Arg-(D-Pip)-Gly-S-(GS)1-Gly-Hir
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| Indication | Discovery agent | Investigative | [527780] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C98H142N22O35S
|
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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)C4CCCCN4C(=O)C(CCCN=C(N)N)NS(=O)(=O)C5<br />=CC=C(C=C5)C(C)(C)C
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| InChI |
1S/C98H142N22O35S/c1-8-52(4)81(95(151)120-41-15-20-71(120)93(149)112-60(32-37-78(132)133)85(141)109-59(31-36-77(130)131)86(142)115-66(44-54-21-25-56(123)26-22-54)90(146)114-64(42-51(2)3)88(144)113-63(96(152)153)29-34-72(99)124)117-87(143)61(33-38-79(134)135)110-84(140)58(30-35-76(128)129)111-89(145)65(43-53-16-10-9-11-17-53)116-91(147)67(45-80(136)137)106-73(125)46-103-82(138)68(49-121)107-74(126)47-104-83(139)69(50-122)108-75(127)48-105-92(148)70-19-12-13-40-119(70)94(150)62(18-14-39-102-97(100)101)118-156(154,155)57-27-23-55(24-28-57)98(5,6)7/h9-11,16-17,21-28,51-52,58-71,81,118,121-123H,8,12-15,18-20,29-50H2,1-7H3,(H2,99,124)(H,103,138)(H,104,139)(H,105,148)(H,106,125)(H,107,126)(H,108,127)(H,109,141)(H,110,140)(H,111,145)(H,112,149)(H,113,144)(H,114,146)(H,115,142)(H,116,147)(H,117,143)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,152,153)(H4,100,101,102)/t52-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,81-/m0/s1
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| InChIKey |
UHXXZAFTLUMNIB-KZKSJJABSA-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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