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Target
Prothrombin
Ligand
BDBM50078557
Substrate
n/a
Meas. Tech.
ChEBML_208128
IC50
660.0±n/a nM
Citation
 Pass, M; Abu-Rabie, S; Baxter, A; Conroy, R; Coote, SJ; Craven, AP; Finch, H; Hindley, S; Kelly, HA; Lowdon, AW; McDonald, E; Mitchell, WL; Pegg, NA; Procopiou, PA; Ramsden, NG; Thomas, R; Walker, DA; Watson, NS; Jhoti, H; Mooney, CJ; Tang, CM; Thomas, PJ; Parry, S; Patel, C Thrombin inhibitors based on [5,5] trans-fused indane lactams. Bioorg Med Chem Lett 9:1657-62 (1999) [PubMed]
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50078557
Synonyms:
(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethylcarbamoyl-phenyl)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]pyrrole-1-carboxylic acid 3-phenyl-propyl ester | CHEMBL44710
Type:
Small organic molecule
Emp. Form.:
C37H44N4O4
Mol. Mass.:
608.7697
SMILES:
CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OCCCc1ccccc1)C(=O)[C@@H]3CCCCC(N)=N
Structure:
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