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Target
Prothrombin
Ligand
BDBM50046373
Substrate
n/a
Meas. Tech.
ChEMBL_208855 (CHEMBL816690)
IC50
28±n/a nM
Citation
 Shuman, RT; Rothenberger, RB; Campbell, CS; Smith, GF; Gifford-Moore, DS; Gesellchen, PD Highly selective tripeptide thrombin inhibitors. J Med Chem 36:314-9 (1993) [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:
BDBM50046373
Synonyms:
CHEMBL108670 | {1-(3,4-Dichloro-phenyl)-2-[2-(1-formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C24H34Cl2N6O5
Mol. Mass.:
557.47
SMILES:
CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: