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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameAC1NVS6H
Molecular formulaC16H17NO4S
IUPAC name[(E)-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
Molecular weight319.375
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.3
SynonymsMolPort-000-516-730
SR-01000239194-1
CHEMBL3189217
[5-methyl-2-(methylethyl)-4-oxocyclohexa-2,5-dienylidene]azamethyl benzenesulf onate
SCHEMBL15299761
[ Show all ]
Inchi KeyCJSTXIHKKPOTLD-BMRADRMJSA-N
Inchi IDInChI=1S/C16H17NO4S/c1-11(2)14-10-16(18)12(3)9-15(14)17-21-22(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3/b17-15+
PubChem CID5650290
ChEMBLCHEMBL3189217
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43675Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
43673Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
43672Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
43674Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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