Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50328726
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.7±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:
BDBM50328726
Synonyms:
(2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-4-methoxypyrrolidine-1,2-dicarboxamide | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE | 4-Substituted Pyrrolidine Ring, 18 | 4-Substituted Pyrrolidine Ring, 19 | CHEMBL1229814
Type:
Small organic molecule
Emp. Form.:
C26H25ClFN3O5S
Mol. Mass.:
546.01
SMILES:
CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: