Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50010103
Substrate
n/a
Meas. Tech.
ChEMBL_1344336 (CHEMBL3257006)
Ki
32000±n/a nM
Citation
 Parrish, RF; Straus, JW; Paulson, JD; Polakoski, KL; Tidwell, RR; Geratz, JD; Stevens, FM Structure-activity relationships for the inhibition of acrosin by benzamidine derivatives. J Med Chem 21:1132-6 (1979) [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:
BDBM50010103
Synonyms:
CHEMBL2418042
Type:
Small organic molecule
Emp. Form.:
C14H11I2N3O3
Mol. Mass.:
523.0644
SMILES:
NC(=N)c1cc(I)c(OCc2cccc(c2)[N+]([O-])=O)c(I)c1
Structure:
Search PDB for entries with ligand similarity: