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GLASS

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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 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	BHPI
Molecular formula	C21H17NO3
IUPAC name	3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
Molecular weight	331.371
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.6
Synonyms	MLS-0096071.0001 SR-01000502745-1 1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl-2H-indol-2-one 56632-39-4 DNDI1417434 NCGC00408892-01 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one AC1MYQB4 FABLAHMQSQFDHR-UHFFFAOYSA-N SMR000194821 3,3-bis-(4-hydroxy-phenyl)-7-methyl-2-indolinone AS-16880 CS-4205 KS-00001D1Q MLS000573319 ZINC4302867 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl- Cambridge id 6373538 DTXSID00397487 REGID_for_CID_3860640 3,3-bis(4-hydroxyphenyl)-7-methyl-oxindole AKOS000350526 CHEMBL394883 HMS2153B10 MCULE-6280329543 SR-01000502745 3,3-bis-(4-hydroxyphenyl)-7-methyl-2 -indolinone BDBM61491 CTK1F4188 MolPort-001-667-514 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one AB00105948-01 CCG-21503 EU-0079779 SCHEMBL5478375 3,3-bis(4-hydroxyphenyl)-7-methylindolin-2-one AOB5365 cid_3860640 HY-12825 [ Show all ]
Inchi Key	FABLAHMQSQFDHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
PubChem CID	3860640
ChEMBL	CHEMBL394883
IUPHAR	N/A
BindingDB	61491
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
IC50	7660.0 nM	PubChem BioAssay data set	ChEMBL

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