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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	SMR000146590
Molecular formula	C14H14N2O4S
IUPAC name	S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate
Molecular weight	306.336
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.9
Synonyms	CHEMBL1458812 MolPort-000-775-520 SR-01000389861 AKOS001483426 ethanethioic acid S-[1-(1-acetylindol-3-yl)-2-nitro-ethyl] ester S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate STK051729 1-acetyl-3-(1-acetylthio-2-nitroethyl)indole CBDivE_000598 MCULE-6997460420 S-{1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl} ethanethioate AC1MWJ38 cid_3775080 Oprea1_481875 SR-01000389861-1 AKOS021983253 KSC-8-123 S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate Thioacetic acid S-[1-(1-acetyl-1H-indol-3-yl)-2-nitro-ethyl] ester 35891-40-8 MLS000554273 AI-981/36563023 ethanethioic acid S-[1-(1-acetyl-3-indolyl)-2-nitroethyl] ester REGID_for_CID_3775080 ST51059888 BDBM42045 KUC104587N S-[1-(1-ethanoylindol-3-yl)-2-nitro-ethyl] ethanethioate [ Show all ]
Inchi Key	HUTFFQPOGUXDQI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3
PubChem CID	3775080
ChEMBL	CHEMBL1458812
IUPHAR	N/A
BindingDB	42045
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL
EC50	32000.0 nM	N/A	BindingDB

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