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Target
Coagulation factor XI
Ligand
BDBM50541581
Substrate
n/a
Meas. Tech.
ChEMBL_1984859 (CHEMBL4618265)
Ki
0.500000±n/a nM
Citation
 Yang, W; Wang, Y; Lai, A; Clark, CG; Corte, JR; Fang, T; Gilligan, PJ; Jeon, Y; Pabbisetty, KB; Rampulla, RA; Mathur, A; Kaspady, M; Neithnadka, PR; Arumugam, A; Raju, S; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Chacko, SA; Bozarth, JM; Wu, Y; Crain, EJ; Wong, PC; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J Med Chem 63:7226-7242 (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:
BDBM50541581
Synonyms:
CHEMBL4646341
Type:
Small organic molecule
Emp. Form.:
C30H30ClF2N5O4
Mol. Mass.:
598.04
SMILES:
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(NC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r|
Structure:
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