Reaction Details  Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM772
Substrate
BDBM12989
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
110000±20000 nM
Citation
 Katz, BA; Mackman, R; Luong, C; Radika, K; Martelli, A; Sprengeler, PA; Wang, J; Chan, H; Wong, L Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol 7:299-312 (2000) [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:
BDBM772
Synonyms:
Benzamidine | CHEMBL79897 | [amino(phenyl)methylidene]azanium | benzamidine deriv. | benzamidinium chloride
Type:
n/a
Emp. Form.:
C7H9N2
Mol. Mass.:
121.1592
SMILES:
NC(=[NH2+])c1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12989
Synonyms:
CH3OCO-D-CHA-Gly-Arg-pNA.AcOH | Chromogenic Substrate Pefachrome FXa | acetic acid; methyl N-[(1R)-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]-2-cyclohexylethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C25H38N8O7
Mol. Mass.:
562.6186
SMILES:
COC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCC[NH+]=C(N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |r,w:24.24|
Structure:
Search PDB for entries with ligand similarity: