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Target
Prothrombin
Ligand
BDBM50054483
Substrate
n/a
Meas. Tech.
ChEMBL_207953 (CHEMBL811069)
IC50
1.70±n/a nM
Citation
 Levy, OE; Semple, JE; Lim, ML; Reiner, J; Rote, WE; Dempsey, E; Richard, BM; Zhang, E; Tulinsky, A; Ripka, WC; Nutt, RF Potent and selective thrombin inhibitors incorporating the constrained arginine mimic l-3-piperidyl(N-guanidino)alanine at P1. J Med Chem 39:4527-30 (1996) [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:
BDBM50054483
Synonyms:
(S)-4-{(S)-2-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-ethylcarbamoyl]-pyrrolidin-1-yl}-4-oxo-3-(2-propyl-pentanoylamino)-butyric acid methyl ester | CHEMBL342838
Type:
Small organic molecule
Emp. Form.:
C27H46N6O6
Mol. Mass.:
550.6907
SMILES:
CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCN(C1)C(N)=N)C=O
Structure:
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