Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM13778
Substrate
BDBM13789
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
50±n/a nM
Citation
 Rai, R; Kolesnikov, A; Sprengeler, PA; Torkelson, S; Ton, T; Katz, BA; Yu, C; Hendrix, J; Shrader, WD; Stephens, R; Cabuslay, R; Sanford, E; Young, WB Discovery of novel heterocyclic factor VIIa inhibitors. Bioorg Med Chem Lett 16:2270-3 (2006) [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:
BDBM13778
Synonyms:
2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid | CHEMBL76325 | amidine-containing inhibitor 2
Type:
Small organic molecule
Emp. Form.:
C23H18N4O5
Mol. Mass.:
430.4128
SMILES:
NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Structure:
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Substrate
Name:
BDBM13789
Synonyms:
Factor Xa Chromogenic Substrate | MeOC-Nle-Gly-Arg-pNA | methyl N-[(1S)-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]pentyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C22H34N8O7
Mol. Mass.:
522.5548
SMILES:
CCCC[C@H](NC(=O)OC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
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