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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 35
Species	Homo sapiens (Human)
Gene	GPR35
Synonym	G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor
Disease	N/A
Length	309
Amino acid sequence	MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
UniProt	Q9HC97
Protein Data Bank	N/A
GPCR-HGmod model	Q9HC97
3D structure model	This predicted structure model is from GPCR-EXP Q9HC97.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293267
IUPHAR	102
DrugBank	BE0005562

Ligand

Name	MLS000545777
Molecular formula	C19H19N3OS
IUPAC name	(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Molecular weight	337.441
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.5
Synonyms	(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-one cid_1803281 AC1LXNB2 SMR000161071 (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one 3-benzyl-5-[4-(dimethylamino)benzylidene]-2-thioxo-4-imidazolidinone HMS2187J14 (5Z)-3-benzyl-5-[(4-dimethylaminophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one AN-940/40648818 ZINC367358 (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinone CHEMBL1303807 (5Z)-3-benzyl-5-[4-(dimethylamino)benzylidene]-2-thioxo-4-imidazolidinone BDBM61608 [ Show all ]
Inchi Key	ANCIYSVAHZBPLI-ATVHPVEESA-N
Inchi ID	InChI=1S/C19H19N3OS/c1-21(2)16-10-8-14(9-11-16)12-17-18(23)22(19(24)20-17)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,24)/b17-12-
PubChem CID	1803281
ChEMBL	CHEMBL1303807
IUPHAR	N/A
BindingDB	61608
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	650.595 nM	N/A	BindingDB
IC50	650.6 nM	PubChem BioAssay data set	ChEMBL

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