Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50165510
Substrate
n/a
Meas. Tech.
ChEMBL_302275 (CHEMBL830294)
Ki
>5000±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:
BDBM50165510
Synonyms:
CHEMBL197032 | Naphthalene-1-carboxylic acid (7-carbamimidoyl-naphthalen-2-ylmethyl)-[3-(2-methyl-piperidin-1-yl)-propyl]-amide
Type:
Small organic molecule
Emp. Form.:
C32H36N4O
Mol. Mass.:
492.6544
SMILES:
CC1CCCCN1CCCN(Cc1ccc2ccc(cc2c1)C(N)=N)C(=O)c1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: