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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

Ligand

Name	MLS001175476
Molecular formula	C20H26N2O2
IUPAC name	4-[[2-(1-adamantyl)acetyl]amino]-N-methylbenzamide
Molecular weight	326.44
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.8
Synonyms	AC1PH4J4 4-[[2-(1-adamantyl)-1-oxoethyl]amino]-N-methylbenzamide Z27615013 HMS2902A17 4-[2-(1-adamantyl)ethanoylamino]-N-methyl-benzamide AKOS017047132 MolPort-004-143-500 4-[[2-(1-adamantyl)acetyl]amino]-N-methyl-benzamide CHEMBL1345894 ZINC7814911 877040-39-6 MCULE-3840380773 4-[2-(adamantan-1-yl)acetamido]-N-methylbenzamide BDBM61582 SMR000592455 4-[[2-(1-adamantyl)acetyl]amino]-N-methylbenzamide cid_8934559 [ Show all ]
Inchi Key	AGYMVNXKKJETRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N2O2/c1-21-19(24)16-2-4-17(5-3-16)22-18(23)12-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3,(H,21,24)(H,22,23)
PubChem CID	8934559
ChEMBL	CHEMBL1345894
IUPHAR	N/A
BindingDB	61582
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3138.23 nM	PubChem BioAssay data set	ChEMBL
IC50	3138.23 nM	N/A	BindingDB

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