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TargetCoagulation factor XI
LigandBDBM303811
Substrate/Competitorn/a
Meas. Tech.Measurement of FXIa Inhibition
IC50 4.50±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:
BDBM303811
n/a
NameBDBM303811
Synonyms:2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-phenylpropanamide (Stereoisomer Mixture) | US10138236, Example 29
TypeSmall organic molecule
Emp. Form.C32H26ClN5O4
Mol. Mass.580.033
SMILESClc1ccc2CC3(CC3)NC(=O)c3cn(C(Cc4ccccc4)C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)c(=O)cc3-c2c1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;$|
Structure
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