Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM419907
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.900±n/a nM
Citation
 Ogawa, AK; Brockunier, L; Tata, J; Parker, Jr., DL; Wang, M Factor XIa inhibitors US Patent  US10472344 Publication Date 11/12/2019 
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:
BDBM419907
Synonyms:
(S)-2-(1-(3-AMMONIO-1H-INDAZOLE-6-CARBOXAMIDO)-2-PHENYLETHYL)-5-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)PYRIDINE 1-OXIDE 2,2,2-TRIFLUOROACETATE | US10472344, Example 1
Type:
Small organic molecule
Emp. Form.:
C28H22ClN9O2
Mol. Mass.:
551.986
SMILES:
Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r|
Structure:
Search PDB for entries with ligand similarity: