Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM50458533
Substrate
n/a
Meas. Tech.
ChEMBL_1764046 (CHEMBL4199293)
Kd
1400000±n/a nM
Citation
 Quan, ML; Pinto, DJP; Smallheer, JM; Ewing, WR; Rossi, KA; Luettgen, JM; Seiffert, DA; Wexler, RR Factor XIa Inhibitors as New Anticoagulants. J Med Chem 61:7425-7447 (2018) [PubMed]  Article 
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:
BDBM50458533
Synonyms:
CHEMBL4206890
Type:
Small organic molecule
Emp. Form.:
C20H19N3O4
Mol. Mass.:
365.3826
SMILES:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c(=O)cc(O)c2c1 |r|
Structure:
Search PDB for entries with ligand similarity: