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TargetCoagulation factor XI
LigandBDBM303788
Substrate/Competitorn/a
Meas. Tech.Measurement of FXIa Inhibition
IC50 28.0±n/a nM
Citation Röhrig, SHillisch, AHeitmeier, SSchmidt, MVSchlemmer, KTersteegen, ASchäfer, MTeller, HJimènez Nùnez, E Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives US Patent US10138236 Publication Date 11/27/2018
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM303788
n/a
NameBDBM303788
Synonyms:4-{[2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,4-e][3]benzazocin-3(2H)-yl)butanoyl]amino}benzoic acid (Stereoisomer Mixture) | US10138236, Example 6
TypeSmall organic molecule
Emp. Form.C25H22ClN3O5
Mol. Mass.479.912
SMILESCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Structure
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