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Target
Prothrombin
Ligand
BDBM50060746
Substrate
n/a
Meas. Tech.
ChEMBL_208362 (CHEMBL813672)
Ki
2.2±n/a nM
Citation
 Feng, DM; Gardell, SJ; Lewis, SD; Bock, MG; Chen, Z; Freidinger, RM; Naylor-Olsen, AM; Ramjit, HG; Woltmann, R; Baskin, EP; Lynch, JJ; Lucas, R; Shafer, JA; Dancheck, KB; Chen, IW; Mao, SS; Krueger, JA; Hare, TR; Mulichak, AM; Vacca, JP Discovery of a novel, selective, and orally bioavailable class of thrombin inhibitors incorporating aminopyridyl moieties at the P1 position. J Med Chem 40:3726-33 (1997) [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:
BDBM50060746
Synonyms:
((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester | CHEMBL123142
Type:
Small organic molecule
Emp. Form.:
C33H53N5O4
Mol. Mass.:
583.805
SMILES:
Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1
Structure:
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