Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09HFC
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| Former ID |
DNC006002
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| Drug Name |
Bbs-Arg-(D-Pip)-Gly-S-(GS)13-Gly-Hir
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| Indication | Discovery agent | Investigative | [527780] | ||
| Structure |
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Download2D MOL |
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| Formula |
C158H238N46O71S
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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)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO<br />)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)<br />NC(=O)CNC(=O)C4CCCCN4C(=O)C(CCCN=C(N)N)NS(=O)(=O)C5=CC=<br />C(C=C5)C(C)(C)C
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| InChI |
1S/C158H238N46O71S/c1-8-76(4)129(155(271)204-41-15-20-107(204)153(269)196-84(32-37-126(240)241)145(261)193-83(31-36-125(238)239)146(262)199-90(44-78-21-25-80(219)26-22-78)150(266)198-88(42-75(2)3)148(264)197-87(156(272)273)29-34-108(159)220)201-147(263)85(33-38-127(242)243)194-144(260)82(30-35-124(236)237)195-149(265)89(43-77-16-10-9-11-17-77)200-151(267)91(45-128(244)245)178-109(221)46-163-130(246)92(61-205)179-110(222)47-164-131(247)93(62-206)180-111(223)48-165-132(248)94(63-207)181-112(224)49-166-133(249)95(64-208)182-113(225)50-167-134(250)96(65-209)183-114(226)51-168-135(251)97(66-210)184-115(227)52-169-136(252)98(67-211)185-116(228)53-170-137(253)99(68-212)186-117(229)54-171-138(254)100(69-213)187-118(230)55-172-139(255)101(70-214)188-119(231)56-173-140(256)102(71-215)189-120(232)57-174-141(257)103(72-216)190-121(233)58-175-142(258)104(73-217)191-122(234)59-176-143(259)105(74-218)192-123(235)60-177-152(268)106-19-12-13-40-203(106)154(270)86(18-14-39-162-157(160)161)202-276(274,275)81-27-23-79(24-28-81)158(5,6)7/h9-11,16-17,21-28,75-76,82-107,129,202,205-219H,8,12-15,18-20,29-74H2,1-7H3,(H2,159,220)(H,163,246)(H,164,247)(H,165,248)(H,166,249)(H,167,250)(H,168,251)(H,169,252)(H,170,253)(H,171,254)(H,172,255)(H,173,256)(H,174,257)(H,175,258)(H,176,259)(H,177,268)(H,178,221)(H,179,222)(H,180,223)(H,181,224)(H,182,225)(H,183,226)(H,184,227)(H,185,228)(H,186,229)(H,187,230)(H,188,231)(H,189,232)(H,190,233)(H,191,234)(H,192,235)(H,193,261)(H,194,260)(H,195,265)(H,196,269)(H,197,264)(H,198,266)(H,199,262)(H,200,267)(H,201,263)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,272,273)(H4,160,161,162)/t76-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107-,129-/m0/s1
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| InChIKey |
UZMGIFBITDOUBH-GDGQYZPBSA-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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