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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	MLS-0061481.0001
Molecular formula	C18H20N4O2S
IUPAC name	3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylpurine-2,6-dione
Molecular weight	356.444
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	MolPort-000-822-693 ZINC12647926 3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione 7-allyl-3-methyl-8-((3-phenylpropyl)thio)-1H-purine-2,6(3H,7H)-dione EU-0047744 HMS3368I09 SR-01000506583 3-methyl-8-(3-phenylpropylthio)-7-prop-2-enylpurine-2,6-dione AKOS001299093 MLS-0061481.0002 STL297554 313470-39-2 CHEMBL1468879 MolPort-002-302-517 3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylpurine-2,6-dione 7-allyl-3-methyl-8-(3-phenylpropylthio)xanthine F0381-3051 MCULE-7879739997 SR-01000506583-1 3-methyl-8-[(3-phenylpropyl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione BDBM65734 MLS000100709 Z223843964 cid_2989653 SMR000017225 3-methyl-8-(3-phenylpropylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione AC1MGPFN HMS2239K15 ST51071738 3-methyl-8-[(3-phenylpropyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione [ Show all ]
Inchi Key	BYDCIBXURIFARK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
PubChem CID	2989653
ChEMBL	CHEMBL1468879
IUPHAR	N/A
BindingDB	65734
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	9330.0 nM	N/A	BindingDB

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