Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50328728
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
6.1±0.0 nM
Citation
 Van Huis, CA; Bigge, CF; Casimiro-Garcia, A; Cody, WL; Dudley, DA; Filipski, KJ; Heemstra, RJ; Kohrt, JT; Narasimhan, LS; Schaum, RP; Zhang, E; Bryant, JW; Haarer, S; Janiczek, N; Leadley, RJ; McClanahan, T; Thomas Peterson, J; Welch, KM; Edmunds, JJ Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors. Chem Biol Drug Des 69:444-50 (2007) [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:
BDBM50328728
Synonyms:
(2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-4-hydroxypyrrolidine-1,2-dicarboxamide | 4-Substituted Pyrrolidine Ring, 13 | 4-Substituted Pyrrolidine Ring, 15 | CHEMBL1269832
Type:
Small organic molecule
Emp. Form.:
C25H23ClFN3O5S
Mol. Mass.:
531.984
SMILES:
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Structure:
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