Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM60963
Substrate
n/a
Meas. Tech.
In Vitro Assay
pH
7.4±n/a
Ki
5117.00±n/a nM
Comments
extracted
Citation
 Orwat, MJ; Pinto, DJ; Smith, II, LM; Corte, JR; Srivastava, S Substituted 1,2,3,4-tetrahydro-2,6-naphthyridines as factor XIa inhibitors US Patent  US9394276 Publication Date 7/19/2016 
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:
BDBM60963
Synonyms:
US9108951, 32
Type:
n/a
Emp. Form.:
C29H25ClN6O4
Mol. Mass.:
557
SMILES:
COC(=O)c1ccc(NC(=O)C2N(CCc3cccc(C)c23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
Structure:
Search PDB for entries with ligand similarity: