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Target
Prothrombin
Ligand
BDBM50078545
Substrate
n/a
Meas. Tech.
ChEBML_208128
IC50
12000±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]  Article 
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:
BDBM50078545
Synonyms:
Acetic acid (3R,3aS,8aS)-3-(4-carbamimidoyl-butyl)-5-(3-diethylcarbamoyl-phenyl)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]pyrrol-1-ylmethyl ester | CHEMBL46993
Type:
Small organic molecule
Emp. Form.:
C30H38N4O4
Mol. Mass.:
518.6471
SMILES:
CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3COC(C)=O)c2c1
Structure:
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