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TargetCoagulation factor XI
LigandBDBM50250490
Substrate/Competitorn/a
Meas. Tech.ChEBML_1681750
Ki 0.490000±n/a nM
Citation Pinto, DJPOrwat, MJSmith, LMQuan, MLLam, PYSRossi, KAApedo, ABozarth, JMWu, YZheng, JJXin, BToussaint, NStetsko, PGudmundsson, OMaxwell, BCrain, EJWong, PCLou, ZHarper, TWChacko, SAMyers, JESheriff, SZhang, HHou, XMathur, ASeiffert, DAWexler, RRLuettgen, JMEwing, WR Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J Med Chem60:9703-9723 (2017) [PubMed]  Article
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
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  Blast E-value cutoff:
BDBM50250490
n/a
NameBDBM50250490
Synonyms:CHEMBL4087166
TypeSmall organic molecule
Emp. Form.C31H27ClFN7O4S
Mol. Mass.648.107
SMILESOC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCSCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r|
Structure
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