Reaction Details  Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM350476
Substrate
n/a
Meas. Tech.
ChEMBL_1856603 (CHEMBL4357332)
Ki
2.2±n/a nM
Citation
 Corte, JR; Pinto, DJP; Fang, T; Osuna, H; Yang, W; Wang, Y; Lai, A; Clark, CG; Sun, JH; Rampulla, R; Mathur, A; Kaspady, M; Neithnadka, PR; Li, YC; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Harper, TW; Huang, C; Zheng, JJ; Bozarth, JM; Wu, Y; Wong, PC; Crain, EJ; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Potent, Orally Bioavailable, and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J Med Chem 63:784-803 (2020) [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:
BDBM350476
Synonyms:
US10208068, Example 78
Type:
Small organic molecule
Emp. Form.:
C31H30ClFN6O4
Mol. Mass.:
605.059
SMILES:
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3cnn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1 |r|
Structure:
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