Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01ARY
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| Former ID |
DNC005994
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| Drug Name |
Bbs-Arg-(D-Pip)-Gly-S-(GS)3-Gly-Hir
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| Indication | Discovery agent | Investigative | [527780] | ||
| Structure |
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Download2D MOL |
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| Formula |
C108H158N26O41S
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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)C4<br />CCCCN4C(=O)C(CCCN=C(N)N)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C
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| InChI |
1S/C108H158N26O41S/c1-8-56(4)89(105(171)134-41-15-20-77(134)103(169)126-64(32-37-86(150)151)95(161)123-63(31-36-85(148)149)96(162)129-70(44-58-21-25-60(139)26-22-58)100(166)128-68(42-55(2)3)98(164)127-67(106(172)173)29-34-78(109)140)131-97(163)65(33-38-87(152)153)124-94(160)62(30-35-84(146)147)125-99(165)69(43-57-16-10-9-11-17-57)130-101(167)71(45-88(154)155)118-79(141)46-113-90(156)72(51-135)119-80(142)47-114-91(157)73(52-136)120-81(143)48-115-92(158)74(53-137)121-82(144)49-116-93(159)75(54-138)122-83(145)50-117-102(168)76-19-12-13-40-133(76)104(170)66(18-14-39-112-107(110)111)132-176(174,175)61-27-23-59(24-28-61)108(5,6)7/h9-11,16-17,21-28,55-56,62-77,89,132,135-139H,8,12-15,18-20,29-54H2,1-7H3,(H2,109,140)(H,113,156)(H,114,157)(H,115,158)(H,116,159)(H,117,168)(H,118,141)(H,119,142)(H,120,143)(H,121,144)(H,122,145)(H,123,161)(H,124,160)(H,125,165)(H,126,169)(H,127,164)(H,128,166)(H,129,162)(H,130,167)(H,131,163)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,172,173)(H4,110,111,112)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77-,89-/m0/s1
|
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| InChIKey |
QVAVWYLBNALTPM-TVNHPFTQSA-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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