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TargetCoagulation factor XI
LigandBDBM339915
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 205±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:
BDBM339915
NameBDBM339915
Synonyms:US9758480, 147
TypeSmall organic molecule
Emp. Form.C28H41FN4O5S
Mol. Mass.564.712
SMILESCS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1 |r,wU:21.21,15.32,14.13,27.29,wD:24.28,(-7.11,-10.74,;-8.44,-9.97,;-8.44,-11.51,;-7.11,-9.2,;-9.77,-9.2,;-11.11,-9.97,;-11.11,-11.51,;-12.44,-9.2,;-12.44,-7.66,;-13.77,-6.89,;-15.11,-7.66,;-16.44,-6.89,;-17.78,-7.66,;-17.78,-9.2,;-19.11,-6.89,;-19.59,-5.42,;-21.13,-5.42,;-21.6,-6.89,;-20.36,-7.79,;-20.36,-9.33,;-19.02,-10.1,;-21.69,-10.1,;-21.69,-11.64,;-23.02,-12.41,;-24.36,-11.64,;-24.36,-10.1,;-23.02,-9.33,;-25.69,-12.41,;-27.02,-11.64,;-25.69,-13.95,;-27.02,-14.72,;-18.82,-4.09,;-17.28,-4.09,;-16.51,-2.75,;-17.28,-1.42,;-18.82,-1.42,;-19.59,-2.75,;-15.11,-9.2,;-13.77,-9.97,)|
Structure
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