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TargetCoagulation factor XI
LigandBDBM50153061
Substrate/Competitorn/a
Meas. Tech.ChEBML_1563872
Ki 144±n/a nM
Citation Corte JRFang TPinto DJOrwat MJRendina ARLuettgen JMRossi KAWei ARamamurthy VMyers JESheriff SNarayanan RHarper TWZheng JJLi YXSeiffert DAWexler RRQuan ML Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group. Bioorg Med Chem 24:2257-72 (2016) [PubMed]
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 | 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:
BDBM50153061
n/a
NameBDBM50153061
Synonyms:CHEMBL3781468
TypeSmall organic molecule
Emp. Form.C30H33N5O
Mol. Mass.479.6159
SMILESNC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)nccc2c1 |r,wU:2.1,wD:5.8,(2.71,9.66,;2.71,8.43,;1.37,7.66,;1.36,6.12,;.02,5.36,;-1.31,6.14,;-1.3,7.68,;.04,8.44,;-2.65,5.38,;-2.66,4.15,;-3.98,6.16,;-5.32,5.4,;-6.65,6.18,;-7.99,5.42,;-9.32,6.2,;-10.65,5.44,;-10.66,3.9,;-9.34,3.12,;-8,3.88,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,)|
Structure
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