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TargetCoagulation factor XI
LigandBDBM339887
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 82.0±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:
BDBM339887
NameBDBM339887
Synonyms:5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amino-2-fluoroethyl]cyclohexanecarbonyl}-3-cyclohexylpyrrolidine-2-carboxamide]-1-methyl-1H-indole-2-carboxylic acid | US9758480, 29
TypeSmall organic molecule
Emp. Form.C30H41FN4O4
Mol. Mass.540.6693
SMILESCn1c(cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)C(N)CF)C3CCCCC3)ccc12)C(O)=O |r,wU:17.17,11.28,10.9,wD:20.24,(6.89,6.47,;6.41,7.93,;7.32,9.18,;6.41,10.42,;4.95,9.95,;3.61,10.72,;2.28,9.95,;.94,10.72,;-.39,9.95,;-.39,8.41,;-1.72,10.72,;-2.2,12.18,;-3.74,12.18,;-4.21,10.72,;-2.97,9.81,;-2.97,8.27,;-1.64,7.5,;-4.3,7.5,;-4.3,5.96,;-5.64,5.19,;-6.97,5.96,;-6.97,7.5,;-5.64,8.27,;-8.3,5.19,;-9.64,5.96,;-8.3,3.65,;-9.64,2.88,;-1.43,13.52,;.11,13.52,;.88,14.85,;.11,16.18,;-1.43,16.18,;-2.2,14.85,;2.28,8.41,;3.61,7.64,;4.95,8.41,;8.86,9.18,;9.63,10.51,;9.63,7.84,)|
Structure
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