Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM18971
Substrate
BDBM12500
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7±n/a
Temperature
295.15±n/a K
Ki
11±n/a nM
Citation
 Lam, PY; Clark, CG; Li, R; Pinto, DJ; Orwat, MJ; Galemmo, RA; Fevig, JM; Teleha, CA; Alexander, RS; Smallwood, AM; Rossi, KA; Wright, MR; Bai, SA; He, K; Luettgen, JM; Wong, PC; Knabb, RM; Wexler, RR Structure-based design of novel guanidine/benzamidine mimics: potent and orally bioavailable factor Xa inhibitors as novel anticoagulants. J Med Chem 46:4405-18 (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:
BDBM18971
Synonyms:
1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide | CHEMBL139788 | pyrazole-based inhibitor, 22a
Type:
Small organic molecule
Emp. Form.:
C24H22N4O4S
Mol. Mass.:
462.521
SMILES:
COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12500
Synonyms:
Cbz-D-Arg-Gly-L-Arg-pNA | Chromogenic Substrate S-2765 | N-a-Benzyloxycarbonyl-Darginyl-L-glycyl-L-arginine-pnitroaniline | N-alpha-Z-D-Arg-Gly-Arg-p-nitroanilide | benzyl N-[(1R)-4-carbamimidamido-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]butyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C28H39N11O7
Mol. Mass.:
641.6788
SMILES:
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7+]=[#6](-[#7])-[#7-])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r,w:30.30|
Structure:
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