Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM13300
Substrate
BDBM12593
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
Ki
150±n/a nM
Citation
 Choi-Sledeski, YM; McGarry, DG; Green, DM; Mason, HJ; Becker, MR; Davis, RS; Ewing, WR; Dankulich, WP; Manetta, VE; Morris, RL; Spada, AP; Cheney, DL; Brown, KD; Colussi, DJ; Chu, V; Heran, CL; Morgan, SR; Bentley, RG; Leadley, RJ; Maignan, S; Guilloteau, JP; Dunwiddie, CT; Pauls, HW Sulfonamidopyrrolidinone factor Xa inhibitors: potency and selectivity enhancements via P-1 and P-4 optimization. J Med Chem 42:3572-87 (1999) [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:
BDBM13300
Synonyms:
3-{[(3S)-3-{[5-(2-methoxypyrimidin-4-yl)thiophene-2-]sulfonamido}-2-oxopyrrolidin-1-yl]methyl}benzene-1-carboximidamide | Sulfonamidopyrrolidinone 3m
Type:
Small organic molecule
Emp. Form.:
C21H22N6O4S2
Mol. Mass.:
486.567
SMILES:
COc1nccc(n1)-c1ccc(s1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
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:
Search PDB for entries with ligand similarity: