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TargetCoagulation factor XI
LigandBDBM50439472
Substrate/Competitorn/a
Meas. Tech.ChEMBL_979043 (CHEMBL2421096)
IC50>33000±n/a nM
Citation Bolton, SASutton, JCAnumula, RBisacchi, GSJacobson, BSlusarchyk, WATreuner, UDWu, SCZhao, GPi, ZSheriff, SSmirk, RABisaha, SCheney, DLWei, ASchumacher, WAHartl, KSLiu, EZahler, RSeiler, SM Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg Med Chem Lett23:5239-43 (2013) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50439472
n/a
NameBDBM50439472
Synonyms:CHEMBL2417908
TypeSmall organic molecule
Emp. Form.C28H30N6O6
Mol. Mass.546.5744
SMILESCOc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc2nc(N)[nH]c2c1 |r|
Structure
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