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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

NameCHEMBL256880
Molecular formulaC23H18ClN3O2
IUPAC nameN-[(E)-(1-benzylindol-4-yl)methylideneamino]-3-chloro-4-hydroxybenzamide
Molecular weight403.866
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsN/A
Inchi KeySQERLXDRJIAMLW-AFUMVMLFSA-N
Inchi IDInChI=1S/C23H18ClN3O2/c24-20-13-17(9-10-22(20)28)23(29)26-25-14-18-7-4-8-21-19(18)11-12-27(21)15-16-5-2-1-3-6-16/h1-14,28H,15H2,(H,26,29)/b25-14+
PubChem CID44453768
ChEMBLCHEMBL256880
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
320554Pituitary adenylate cyclase-activating polypeptide type I receptorP41586ADCYAP1R1Homo sapiens (Human)468

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