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TargetCoagulation factor XI
LigandBDBM339922
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 285±n/a nM
Citation Ikuma, YFukuda, NIwata, MKimura, HSuzuki, K 1-(cycloalkyl-carbonyl)proline derivative US Patent US9758480 Publication Date 9/12/2017  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 | 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:
BDBM339922
NameBDBM339922
Synonyms:(3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-cyclohexyl-N-{2-[(dimethylsulfamoyl)carbamoyl]-1-benzofuran-5-yl}-L-prolinamide | US9758480, 187
TypeSmall organic molecule
Emp. Form.C30H39ClFN3O6
Mol. Mass.592.099
SMILESCO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(C(O)=O)c(Cl)c2c1)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF |r,wU:31.34,8.8,12.14,37.42,2.1,wD:34.41,(-11.88,9.96,;-11.11,8.62,;-11.88,7.29,;-11.11,5.96,;-11.88,4.62,;-13.42,4.62,;-14.19,5.96,;-13.42,7.29,;-14.19,3.29,;-15.73,3.29,;-16.21,1.82,;-14.96,.92,;-13.71,1.82,;-12.38,1.05,;-12.38,-.49,;-11.05,1.82,;-9.71,1.05,;-9.71,-.49,;-8.38,-1.26,;-7.05,-.49,;-5.54,-.98,;-4.61,.31,;-3.02,.31,;-2.23,1.68,;-2.23,-1.07,;-5.54,1.59,;-4.81,2.86,;-7.05,1.1,;-8.38,1.82,;-14.96,-.62,;-13.63,-1.39,;-16.29,-1.39,;-16.29,-2.93,;-17.63,-3.7,;-18.96,-2.93,;-18.96,-1.39,;-17.63,-.62,;-20.29,-3.7,;-21.63,-2.93,;-20.29,-5.24,;-21.63,-6.01,)|
Structure
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