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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.
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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	MLS-0435427.0001
Molecular formula	C24H20ClN3O4S2
IUPAC name	4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
Molecular weight	514.011
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.3
Synonyms	4-[[2-[1-[(4-chlorophenyl)carbamoyl]propylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid SR-01000565033 MCULE-1194628392 4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid AKOS021617952 MolPort-007-917-532 4-[[2-[[1-(4-chloroanilino)-1-oxobutan-2-yl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoic acid CHEMBL1730779 SR-01000565033-1 AC1N559S 4-[[2-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid BDBM64818 SMR000634459 4-{[2-[(1-{[(4-chlorophenyl)amino]carbonyl}propyl)thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid cid_4189667 AKOS002090067 MLS001028354 [ Show all ]
Inchi Key	CJNCFWYZCUQTRK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H20ClN3O4S2/c1-2-19(21(29)26-17-9-7-16(25)8-10-17)34-24-27-18-11-12-33-20(18)22(30)28(24)13-14-3-5-15(6-4-14)23(31)32/h3-12,19H,2,13H2,1H3,(H,26,29)(H,31,32)
PubChem CID	4189667
ChEMBL	CHEMBL1730779
IUPHAR	N/A
BindingDB	64818
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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