Reaction Details  Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM50201262
Substrate
n/a
Meas. Tech.
ChEMBL_1623081 (CHEMBL3865433)
Ki
>1000±n/a nM
Citation
 Wurtz, NR; Parkhurst, BL; Jiang, W; DeLucca, I; Zhang, X; Ladziata, V; Cheney, DL; Bozarth, JR; Rendina, AR; Wei, A; Luettgen, JM; Wu, Y; Wong, PC; Seiffert, DA; Wexler, RR; Priestley, ES Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett 7:1077-1081 (2016) [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:
BDBM50201262
Synonyms:
CHEMBL3949343
Type:
Small organic molecule
Emp. Form.:
C34H38N4O8S
Mol. Mass.:
662.753
SMILES:
COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|
Structure:
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