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TargetCoagulation factor XI
LigandBDBM238267
Substrate/Competitorn/a
Meas. Tech.In Vitro Assay
IC50 1.2±n/a nM
Citation Imagawa AKondo TNishiyama TCourtney SYarnold CIchihara OFlanagan S Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases US Patent  US9394250 Publication Date 7/19/2016
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
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  Blast E-value cutoff:
BDBM238267
n/a
NameBDBM238267
Synonyms:US9394250, 99
TypeSmall organic molecule
Emp. Form.C28H39ClN8O5S
Mol. Mass.635.178
SMILESCOC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCC(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r,wU:19.36,17.18,(10.48,2.25,;9.14,3.02,;7.81,2.25,;7.81,.71,;6.48,3.02,;5.14,2.25,;5.14,.71,;3.81,-.06,;2.47,.71,;2.47,2.25,;3.81,3.02,;1.14,-.06,;-.32,.41,;-1.23,-.83,;-.32,-2.08,;1.14,-1.6,;2.47,-2.37,;-2.56,-.53,;-3.04,.93,;-4.58,.93,;-5.05,-.53,;-3.81,-1.44,;-3.81,-2.98,;-2.47,-3.75,;-5.14,-3.75,;-6.48,-2.98,;-7.81,-3.75,;-7.81,-5.29,;-6.48,-6.06,;-5.14,-5.29,;-9.14,-6.06,;-9.14,-7.6,;-10.48,-5.29,;-5.35,2.26,;-4.58,3.6,;-5.35,4.93,;-6.89,4.93,;-7.66,3.6,;-6.89,2.26,;-7.66,6.27,;-8.43,7.6,;-6.32,7.04,;-8.99,5.5,)|
Structure
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