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Target
Prothrombin
Ligand
BDBM50060712
Substrate
n/a
Meas. Tech.
ChEMBL_208549 (CHEMBL814318)
Ki
17±n/a nM
Citation
 Tucker, TJ; Lumma, WC; Lewis, SD; Gardell, SJ; Lucas, BJ; Sisko, JT; Lynch, JJ; Lyle, EA; Baskin, EP; Woltmann, RF; Appleby, SD; Chen, IW; Dancheck, KB; Naylor-Olsen, AM; Krueger, JA; Cooper, CM; Vacca, JP Synthesis of a series of potent and orally bioavailable thrombin inhibitors that utilize 3,3-disubstituted propionic acid derivatives in the P3 position. J Med Chem 40:3687-93 (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:
BDBM50060712
Synonyms:
(S)-1-(2-10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl-acetyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide; TFA | CHEMBL340088
Type:
Small organic molecule
Emp. Form.:
C29H37N3O2
Mol. Mass.:
459.623
SMILES:
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3CCc3ccccc23)CC1 |wU:9.8,(9.3,-14.48,;8.34,-13.29,;7.94,-12.02,;8.58,-10.42,;7.25,-9.65,;5.86,-9.03,;5.7,-7.49,;4.3,-6.86,;3.05,-7.78,;4.14,-5.35,;5.28,-4.32,;4.65,-2.91,;3.14,-3.07,;2.82,-4.58,;1.41,-5.19,;1.25,-6.73,;.17,-4.29,;.16,-2.75,;1.13,-1.55,;2.61,-2.02,;3.75,-.96,;3.41,.54,;1.93,.99,;.8,-.04,;-.58,.64,;-1.97,,;-2.34,-1.51,;-3.86,-1.73,;-4.45,-3.17,;-3.48,-4.39,;-1.95,-4.16,;-1.38,-2.72,;7.65,-10.83,;7.02,-12.52,)|
Structure:
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