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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

NameCHEMBL3286561
Molecular formulaC16H20N4
IUPAC name2-benzyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
Molecular weight268.364
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50019663
SCHEMBL1622009
Inchi KeyVIARDDXFSMLNLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20N4/c1-17-16-13-7-9-18-10-8-14(13)19-15(20-16)11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,19,20)
PubChem CID25070909
ChEMBLCHEMBL3286561
IUPHARN/A
BindingDB50019663
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3557175-hydroxytryptamine receptor 2AO46635HTR2ACanis lupus familiaris (Dog)470
3557165-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3557155-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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