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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

NameCHEMBL2435858
Molecular formulaC33H39N5O4
IUPAC name4-[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]oxybenzamide
Molecular weight569.706
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
Synonyms4-(6-methyl-5-{4-[(r)-2-oxo-5-phenyl-3-(tetrahydro-pyran-4-yl)-imidazolidin-1-yl]-piperidine-1-ylmethyl}-pyridin-2-yloxy)-benzamide
BDBM50441718
OKRZBWWJVVVKHT-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]benzamide
SCHEMBL5573868
Inchi KeyOKRZBWWJVVVKHT-PMERELPUSA-N
Inchi IDInChI=1S/C33H39N5O4/c1-23-26(9-12-31(35-23)42-29-10-7-25(8-11-29)32(34)39)21-36-17-13-28(14-18-36)38-30(24-5-3-2-4-6-24)22-37(33(38)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H2,34,39)/t30-/m0/s1
PubChem CID58834953
ChEMBLCHEMBL2435858
IUPHARN/A
BindingDB50441718
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
243849C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
243850C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
243851C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
243854C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
243853C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378
243852C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
243848C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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