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TargetCoagulation factor XI
LigandBDBM238262
Substrate/Competitorn/a
Meas. Tech.In Vitro Assay
IC50 9.9±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:
BDBM238262
n/a
NameBDBM238262
Synonyms:US9394250, 86
TypeSmall organic molecule
Emp. Form.C30H43ClN6O5S
Mol. Mass.635.218
SMILESCOC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)[C@H]1CCC(CC1)[C@H](C)N)C1CCN(CC1)S(C)(=O)=O |r,wU:19.36,17.18,wD:24.26,30.35,30.34,(10.68,-1.49,;9.59,-.4,;8.1,-.8,;7.7,-2.29,;7.01,.29,;5.52,-.11,;5.13,-1.6,;3.64,-1.99,;2.55,-.91,;2.95,.58,;4.44,.98,;1.06,-1.3,;-.18,-.4,;-1.43,-1.3,;-.95,-2.77,;.59,-2.77,;1.36,-4.1,;-2.76,-.53,;-3.24,.93,;-4.78,.93,;-5.26,-.53,;-4.01,-1.44,;-4.01,-2.98,;-2.68,-3.75,;-5.34,-3.75,;-6.68,-2.98,;-8.01,-3.75,;-8.01,-5.29,;-6.68,-6.06,;-5.34,-5.29,;-9.34,-6.06,;-9.34,-7.6,;-10.68,-5.29,;-5.55,2.26,;-4.78,3.6,;-5.55,4.93,;-7.09,4.93,;-7.86,3.6,;-7.09,2.26,;-7.86,6.27,;-8.63,7.6,;-6.53,7.04,;-9.19,5.5,)|
Structure
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