Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM50582800
Substrate
n/a
Meas. Tech.
ChEMBL_2155676 (CHEMBL5040336)
Ki
0.170000±n/a nM
Citation
 Dilger, AK; Pabbisetty, KB; Corte, JR; De Lucca, I; Fang, T; Yang, W; Pinto, DJP; Wang, Y; Zhu, Y; Mathur, A; Li, J; Hou, X; Smith, D; Sun, D; Zhang, H; Krishnananthan, S; Wu, DR; Myers, JE; Sheriff, S; Rossi, KA; Chacko, S; Zheng, JJ; Galella, MA; Ziemba, T; Dierks, EA; Bozarth, JM; Wu, Y; Crain, E; Wong, PC; Luettgen, JM; Wexler, RR; Ewing, WR Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J Med Chem 65:1770-1785 (2022) [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:
BDBM50582800
Synonyms:
CHEMBL5093567
Type:
Small organic molecule
Emp. Form.:
C28H25Cl2N9O2
Mol. Mass.:
590.463
SMILES:
C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Structure:
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