Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50165514
Substrate
n/a
Meas. Tech.
ChEMBL_302275 (CHEMBL830294)
Ki
2507±n/a nM
Citation
 Buckman, BO; Chou, YL; McCarrick, M; Liang, A; Lentz, D; Mohan, R; Morrissey, MM; Shaw, KJ; Trinh, L; Light, DR Solid-phase synthesis of naphthylamidines as factor VIIa/tissue factor inhibitors. Bioorg Med Chem Lett 15:2249-52 (2005) [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:
BDBM50165514
Synonyms:
CHEMBL380813 | Naphthalene-1-carboxylic acid (7-carbamimidoyl-naphthalen-2-ylmethyl)-[2-(3,4-dimethoxy-phenyl)-ethyl]-amide
Type:
Small organic molecule
Emp. Form.:
C33H31N3O3
Mol. Mass.:
517.6175
SMILES:
COc1ccc(CCN(Cc2ccc3ccc(cc3c2)C(N)=N)C(=O)c2cccc3ccccc23)cc1OC
Structure:
Search PDB for entries with ligand similarity: