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Target
Prothrombin
Ligand
BDBM50118716
Substrate
n/a
Meas. Tech.
ChEMBL_208329 (CHEMBL813561)
Ki
204±n/a nM
Citation
 Adang, AE; de Man, AP; Vogel, GM; Grootenhuis, PD; Smit, MJ; Peters, CA; Visser, A; Rewinkel, JB; van Dinther, T; Lucas, H; Kelder, J; van Aelst, S; Meuleman, DG; van Boeckel, CA Unique overlap in the prerequisites for thrombin inhibition and oral bioavailability resulting in potent oral antithrombotics. J Med Chem 45:4419-32 (2002) [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:
BDBM50118716
Synonyms:
(S)-1-(3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-5-amino-1-(thiazole-2-carbonyl)-pentyl]-amide | 1-(3,3-Diphenyl-propionyl)-pyrrolidine-2-carboxylic acid [5-amino-1-(thiazole-2-carbonyl)-pentyl]-amide | CHEMBL342632
Type:
Small organic molecule
Emp. Form.:
C29H34N4O3S
Mol. Mass.:
518.67
SMILES:
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nccs1
Structure:
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