Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM12595
Substrate
BDBM12593
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
3.0±n/a nM
Citation
 Maignan, S; Guilloteau, JP; Choi-Sledeski, YM; Becker, MR; Ewing, WR; Pauls, HW; Spada, AP; Mikol, V Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. J Med Chem 46:685-90 (2003) [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:
BDBM12595
Synonyms:
4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE | 4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one | CHEMBL157813 | Ketopiperazine | RPR208944
Type:
Small organic molecule
Emp. Form.:
C22H21ClN4O4S2
Mol. Mass.:
505.01
SMILES:
OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12593
Synonyms:
Chromogenic Substrate Spectrozyme FXa | MeO-CO-D-CHG-Gly-Arg-pNA.AcOH | Methoxycarbonyl-D-cyclohexylglycyl-glycyl-arginine-para-nitroanilide acetate | acetic acid; methyl N-[(R)-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl](cyclohexyl)methyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C24H36N8O7
Mol. Mass.:
548.592
SMILES:
COC(=O)N[C@H](C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
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