Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM12597
Substrate
n/a
Meas. Tech.
ChEBML_49304
Ki
0.900000±n/a nM
Citation
 Czekaj, M; Klein, SI; Guertin, KR; Gardner, CJ; Zulli, AL; Pauls, HW; Spada, AP; Cheney, DL; Brown, KD; Colussi, DJ; Chu, V; Leadley, RJ; Dunwiddie, CT Optimization of the beta-aminoester class of factor Xa inhibitors. Part 1: P(4) and side-chain modifications for improved in vitro potency. Bioorg Med Chem Lett 12:1667-70 (2002) [PubMed]  Article 
Target
Name:
Coagulation factor X
Synonyms:
Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor
Type:
Enzyme
Mol. Mass.:
54726.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
  
Inhibitor
Name:
BDBM12597
Synonyms:
CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[amino(imino)methyl]benzyl}-3-({[3-(aminomethyl)-1,1-biphenyl-4-yl]carbonyl}amino)butanoate | methyl (2R,3R)-3-({4-[3-(aminomethyl)phenyl]phenyl}formamido)-2-[(3-carbamimidoylphenyl)methyl]butanoate
Type:
Small organic molecule
Emp. Form.:
C27H30N4O3
Mol. Mass.:
458.5521
SMILES:
COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1 |r|
Structure:
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