Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM12554
Substrate
BDBM12500
Meas. Tech.
Factor Xa Inhibition Assay
pH
7.8±n/a
Temperature
298.15±n/a K
Ki
60±n/a nM
Citation
Watson, NS; Brown, D; Campbell, M; Chan, C; Chaudry, L; Convery, MA; Fenwick, R; Hamblin, JN; Haslam, C; Kelly, HA; King, NP; Kurtis, CL; Leach, AR; Manchee, GR; Mason, AM; Mitchell, C; Patel, C; Patel, VK; Senger, S; Shah, GP; Weston, HE; Whitworth, C; Young, RJ Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors. Bioorg Med Chem Lett 16:3784-8 (2006) [PubMed] Article
More Info.:
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:
BDBM12554
Synonyms:
N-[(3S)-1-[2-(azepan-1-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-6-chloro-N-methylnaphthalene-2-sulfonamide | pyrrolidin-2-one-based inhibitor 2
Type:
Small organic molecule
Emp. Form.:
C23H28ClN3O4S
Mol. Mass.:
478.004
SMILES:
CN([C@H]1CCN(CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
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|