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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

NameCHEMBL2435852
Molecular formulaC33H38N4O5
IUPAC name4-[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]oxybenzoic acid
Molecular weight570.69
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
Synonyms4-(6-Methyl-5-{4-[(R)-2-oxo-5-phenyl-3-(tetrahydro-pyran-4-yl)-imidazolidin-1-yl]-piperidin-1-ylmethyl}-pyridin-2-yloxy)-benzoic acid
BDBM50441717
NAYZSSQGIKJDGG-PMERELPUSA-N
4-[[6-Methyl-5-[[4-[(5R)-2-oxo-5-phenyl-3-(tetrahydro-2H-pyran-4-yl)imidazolidine-1-yl]piperidino]methyl]pyridine-2-yl]oxy]benzoic acid
SCHEMBL4597450
Inchi KeyNAYZSSQGIKJDGG-PMERELPUSA-N
Inchi IDInChI=1S/C33H38N4O5/c1-23-26(9-12-31(34-23)42-29-10-7-25(8-11-29)32(38)39)21-35-17-13-28(14-18-35)37-30(24-5-3-2-4-6-24)22-36(33(37)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H,38,39)/t30-/m0/s1
PubChem CID58835024
ChEMBLCHEMBL2435852
IUPHARN/A
BindingDB50441717
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
218908C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
218909C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
218911C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
218910C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
218905C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378
218907C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
218906C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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