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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

NameCHEMBL289682
Molecular formulaC30H39N2O+
IUPAC nameN-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]anthracene-9-carboxamide
Molecular weight443.655
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP7.8
Synonyms4-[(Anthracene-9-carbonyl)-amino]-1-cyclooctylmethyl-1-methyl-piperidinium; iodide
CHEMBL1183306
BDBM50098652
Inchi KeyKJKAYCQJTLWQKJ-UHFFFAOYSA-O
Inchi IDInChI=1S/C30H38N2O/c1-32(22-23-11-5-3-2-4-6-12-23)19-17-26(18-20-32)31-30(33)29-27-15-9-7-13-24(27)21-25-14-8-10-16-28(25)29/h7-10,13-16,21,23,26H,2-6,11-12,17-20,22H2,1H3/p+1
PubChem CID10555068
ChEMBLN/A
IUPHARN/A
BindingDB50098652
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
170568C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
460747C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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