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Target
Coagulation factor XI
Ligand
BDBM50525762
Substrate
n/a
Meas. Tech.
ChEMBL_1898062 (CHEMBL4400097)
Ki
0.270000±n/a nM
Citation
 Clark, CG; Rossi, KA; Corte, JR; Fang, T; Smallheer, JM; De Lucca, I; Nirschl, DS; Orwat, MJ; Pinto, DJP; Hu, Z; Wang, Y; Yang, W; Jeon, Y; Ewing, WR; Myers, JE; Sheriff, S; Lou, Z; Bozarth, JM; Wu, Y; Rendina, A; Harper, T; Zheng, J; Xin, B; Xiang, Q; Luettgen, JM; Seiffert, DA; Wexler, RR; Lam, PYS Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg Med Chem Lett 29:0 (2019) [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:
BDBM50525762
Synonyms:
CHEMBL4467360
Type:
Small organic molecule
Emp. Form.:
C28H25Cl2F2N5O5
Mol. Mass.:
620.431
SMILES:
COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r,t:18|
Structure:
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