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TargetCoagulation factor XI
LigandBDBM339876
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 130±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:
BDBM339876
NameBDBM339876
Synonyms:US9758480, 14 | tert-Butyl trans-4-{cis-2-[3-fluoro-4-(5-oxo-2,5-dihydro-1,2,4-oxazol-3-yl)phenylcarbamoyl]-3-phenylpyrrolidine-1-carbonyl}cyclohexylmethylcarbamate
TypeSmall organic molecule
Emp. Form.C27H30FN5O4
Mol. Mass.507.5566
SMILESNC[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)c(F)c1)c1ccccc1 |r,wU:5.8,13.34,14.16,wD:2.1,(-9.81,-12.16,;-8.48,-12.93,;-7.14,-12.16,;-5.81,-12.93,;-4.48,-12.16,;-4.48,-10.62,;-5.81,-9.85,;-7.14,-10.62,;-3.14,-9.85,;-1.81,-10.62,;-3.14,-8.31,;-4.39,-7.41,;-3.91,-5.94,;-2.37,-5.94,;-1.9,-7.41,;-.56,-8.18,;-.56,-9.72,;.77,-7.41,;2.11,-8.18,;2.11,-9.72,;3.44,-10.49,;4.77,-9.72,;6.11,-10.49,;7.57,-10.01,;8.48,-11.26,;9.81,-10.49,;7.57,-12.5,;6.11,-12.03,;4.77,-8.18,;6.2,-7.36,;3.44,-7.41,;-1.6,-4.61,;-.11,-5.01,;.97,-3.92,;.58,-2.43,;-.91,-2.03,;-2,-3.12,)|
Structure
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