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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000662404
Molecular formula	C18H17ClN2O4
IUPAC name	[3-(2-chloro-4-nitrophenoxy)phenyl]-piperidin-1-ylmethanone
Molecular weight	360.794
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	3-(2-chloro-4-nitrophenoxy)phenyl piperidyl ketone HMS2623K16 [3-(2-chloranyl-4-nitro-phenoxy)phenyl]-piperidin-1-yl-methanone AKOS003651190 MolPort-002-258-891 [3-(2-chloro-4-nitrophenoxy)phenyl]-piperidin-1-ylmethanone CHEMBL1382402 ST45132359 MCULE-2428080833 [3-(2-chloro-4-nitro-phenoxy)phenyl]-piperidino-methanone BDBM61524 REGID_for_CID_1303358 1-[3-(2-chloro-4-nitrophenoxy)benzoyl]piperidine cid_1303358 ZINC1127709 AC1LP9J3 [3-(2-chloro-4-nitrophenoxy)phenyl]-(1-piperidinyl)methanone SMR000292929 [ Show all ]
Inchi Key	ACRDNASHOTUMTR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17ClN2O4/c19-16-12-14(21(23)24)7-8-17(16)25-15-6-4-5-13(11-15)18(22)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2
PubChem CID	1303358
ChEMBL	CHEMBL1382402
IUPHAR	N/A
BindingDB	61524
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	5086.86 nM	PubChem BioAssay data set	ChEMBL
IC50	5086.86 nM	N/A	BindingDB

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