Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0P0LG
|
||||
| Former ID |
DNC005996
|
||||
| Drug Name |
Bbs-Arg-(D-Pip)-Gly-(SPHYEKVS)-Gly-Hir
|
||||
| Indication | Discovery agent | Investigative | [527780] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C132H190N30O43S
|
||||
| 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)O)<br />NC(=O)C(CC5=CNC=N5)NC(=O)C6CCCN6C(=O)C(CO)NC(=O)CNC(=O)<br />C7CCCCN7C(=O)C(CCCN=C(N)N)NS(=O)(=O)C8=CC=C(C=C8)C(C)(C<br />)C
|
||||
| InChI |
1S/C132H190N30O43S/c1-10-71(6)109(129(201)162-56-20-27-98(162)124(196)149-84(44-50-105(176)177)113(185)145-83(43-49-104(174)175)114(186)152-91(60-74-30-36-78(166)37-31-74)120(192)151-88(57-69(2)3)117(189)150-87(130(202)203)40-46-99(134)167)158-116(188)85(45-51-106(178)179)146-112(184)82(42-48-103(172)173)148-118(190)89(58-72-21-12-11-13-22-72)154-122(194)93(62-107(180)181)142-100(168)64-139-110(182)94(66-163)156-126(198)108(70(4)5)157-115(187)80(23-14-16-52-133)144-111(183)81(41-47-102(170)171)147-119(191)90(59-73-28-34-77(165)35-29-73)153-121(193)92(61-76-63-137-68-141-76)155-125(197)97-26-19-55-161(97)128(200)95(67-164)143-101(169)65-140-123(195)96-25-15-17-54-160(96)127(199)86(24-18-53-138-131(135)136)159-206(204,205)79-38-32-75(33-39-79)132(7,8)9/h11-13,21-22,28-39,63,68-71,80-98,108-109,159,163-166H,10,14-20,23-27,40-62,64-67,133H2,1-9H3,(H2,134,167)(H,137,141)(H,139,182)(H,140,195)(H,142,168)(H,143,169)(H,144,183)(H,145,185)(H,146,184)(H,147,191)(H,148,190)(H,149,196)(H,150,189)(H,151,192)(H,152,186)(H,153,193)(H,154,194)(H,155,197)(H,156,198)(H,157,187)(H,158,188)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,202,203)(H4,135,136,138)/t71-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,108-,109-/m0/s1
|
||||
| InChIKey |
GRDGGKZCNFVXJO-OZHMLDCXSA-N
|
||||
| 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 | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.