Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM335422
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay
IC50
130±n/a nM
Citation
 Courtney, S; Yarnold, C; Flanagan, S; Brace, G; Barker, J; Ichihara, O; Gadouleau, E; Richardson, A; Kondo, T; Imagawa, A; Nakatani, S; Suzuki, R; Kouyama, S Pyridinone and pyrimidinone derivatives as factor Xia US Patent  US9732085 Publication Date 8/15/2017 
Target
Name:
Coagulation factor XI
Synonyms:
Coagulation factor XIa | Coagulation factor XIa heavy chain | Coagulation factor XIa light chain | F11 | FA11_HUMAN | FXI | Factor XIa | Factor XIa (fXIa) | PTA | Plasma thromboplastin antecedent
Type:
Enzyme
Mol. Mass.:
70130.58
Organism:
Homo sapiens (Human)
Description:
P03951
Residue:
625
Sequence:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFTFTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDMKGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITKLDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFTFFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTDFLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKILHGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
  
Inhibitor
Name:
BDBM335422
Synonyms:
US9732085, Comp Ex 3
Type:
Small organic molecule
Emp. Form.:
C22H18Cl2N8O3
Mol. Mass.:
513.336
SMILES:
COC(=O)Nc1ccc(cc1)-c1[nH]c(CNC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)nc1Cl
Structure:
Search PDB for entries with ligand similarity: