Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCoagulation factor XI
LigandBDBM357065
Substrate/Competitorn/a
Meas. Tech.Factor XIa Assay
Ki 0.240±n/a nM
Citation Xu, JAli, AZhou, WGao, YEdmondson, SDMertz, ENeelamkavil, SFLiu, WSun, WShen, DHarper, BZhu, CBara, TLim, YYang, M Factor XIA inhibitors US Patent US10214512 Publication Date 2/26/2019
More Info.:Get all data from this article,  Assay Method
 
Coagulation factor XI
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:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM357065
n/a
NameBDBM357065
Synonyms:(S)-2-(24-(((2-(tert-butoxy)ethoxy)carbonyl)amino)-4-oxo-3-aza -1(1,3),2(1,2)-dinenzenacyclononaphane-9-yl)-5-(3-chloro-2,6-difluorophenyl)pyridine 1-oxide | US10214512, Example 45
TypeSmall organic molecule
Emp. Form.C36H36ClF2N3O5
Mol. Mass.664.138
SMILESCC(C)(C)OCCOC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: