Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50062027
Substrate
n/a
Meas. Tech.
ChEMBL_208344 (CHEMBL813654)
Ki
3100±n/a nM
Citation
 Maduskuie, TP; McNamara, KJ; Ru, Y; Knabb, RM; Stouten, PF Rational design and synthesis of novel, potent bis-phenylamidine carboxylate factor Xa inhibitors. J Med Chem 41:53-62 (1998) [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:
BDBM50062027
Synonyms:
3-(3-Carbamimidoyl-phenyl)-5-(4-guanidino-phenyl)-pentanoic acid methyl ester | CHEMBL156161
Type:
Small organic molecule
Emp. Form.:
C20H25N5O2
Mol. Mass.:
367.4448
SMILES:
[#6]-[#8]-[#6](=O)-[#6]-[#6](-[#6]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7]
Structure:
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