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TargetCoagulation factor XI
LigandBDBM50032886
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1443463 (CHEMBL3377177)
Ki 590±n/a nM
Citation Hangeland, JJFriends, TJRossi, KASmallheer, JMWang, CSun, ZCorte, JRFang, TWong, PCRendina, ARBarbera, FABozarth, JMLuettgen, JMWatson, CAZhang, GWei, ARamamurthy, VMorin, PEBisacchi, GSSubramaniam, SArunachalam, PMathur, ASeiffert, DAWexler, RRQuan, ML Phenylimidazoles as potent and selective inhibitors of coagulation factor XIa with in vivo antithrombotic activity. J Med Chem57:9915-32 (2014) [PubMed]  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 | FA11_HUMAN | 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:
BDBM50032886
n/a
NameBDBM50032886
Synonyms:CHEMBL3355671
TypeSmall organic molecule
Emp. Form.C28H31F3N4O5
Mol. Mass.560.5647
SMILESOC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccc(cc1)C(O)=O |r,wU:18.18,12.14,wD:9.7,(24.46,-10.74,;25.79,-11.51,;25.79,-13.05,;27.12,-10.74,;28.46,-11.51,;28.45,-9.95,;27.12,-9.2,;8.38,-17.72,;9.7,-18.5,;11.04,-17.73,;12.38,-18.51,;13.72,-17.74,;13.72,-16.2,;12.39,-15.43,;11.05,-16.19,;15.05,-15.43,;15.05,-13.89,;16.38,-16.2,;17.72,-15.43,;17.72,-13.89,;19.05,-13.12,;20.38,-13.89,;21.72,-13.12,;21.72,-11.58,;20.37,-10.81,;19.05,-11.58,;19.05,-16.2,;20.45,-15.57,;21.48,-16.71,;20.71,-18.05,;19.21,-17.73,;23.01,-16.56,;23.63,-15.15,;25.15,-14.99,;26.07,-16.23,;25.44,-17.64,;23.91,-17.8,;27.6,-16.07,;28.51,-17.31,;28.22,-14.66,)|
Structure
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