Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50112498
Substrate
n/a
Meas. Tech.
ChEBML_48443
Ki
>5500±n/a nM
Citation
 Wu, S; Guilford, WJ; Chou, YL; Griedel, BD; Liang, A; Sakata, S; Shaw, KJ; Trinh, L; Xu, W; Zhao, Z; Morrissey, MM Design and synthesis of aminophenol-based factor Xa inhibitors. Bioorg Med Chem Lett 12:1307-10 (2002) [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:
BDBM50112498
Synonyms:
CHEMBL25170 | N-[4-(1-Acetyl-piperidin-4-yloxy)-3-trifluoromethyl-phenyl]-N-[3-(5-carbamimidoyl-2-hydroxy-phenyl)-allyl]-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C28H31F3N4O6
Mol. Mass.:
576.5641
SMILES:
CC(=O)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O
Structure:
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