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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	MLS000584397
Molecular formula	C19H20N2OS2
IUPAC name	(5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one
Molecular weight	356.502
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.0
Synonyms	(5E)-3-allyl-2-thioxo-5-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]thiazolidin-4-one cid_12005182 MolPort-003-896-494 (5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2E)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-4-thiazolidinone HMS2597J24 AKOS001486167 SMR000203560 (5E)-3-allyl-2-thioxo-5-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one CHEMBL1369513 (5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one BDBM51017 ZINC5128028 [ Show all ]
Inchi Key	BNRSQCUOPLBUHF-RWPWKDLBSA-N
Inchi ID	InChI=1S/C19H20N2OS2/c1-5-12-21-17(22)15(24-18(21)23)10-11-16-19(2,3)13-8-6-7-9-14(13)20(16)4/h5-11H,1,12H2,2-4H3/b15-10+,16-11+
PubChem CID	12005182
ChEMBL	CHEMBL1369513
IUPHAR	N/A
BindingDB	51017
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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