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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 homolog US28
Species	Human cytomegalovirus (strain AD169) (HHV-5)
Gene	US28
Synonym	HHRF3
Disease	N/A for non-human GPCRs
Length	354
Amino acid sequence	MTPTTTTAELTTEFDYDEDATPCVFTDVLNQSKPVTLFLYGVVFLFGSIGNFLVIFTITWRRRIQCSGDVYFINLAAADLLFVCTLPLWMQYLLDHNSLASVPCTLLTACFYVAMFASLCFITEIALDRYYAIVYMRYRPVKQACLFSIFWWIFAVIIAIPHFMVVTKKDNQCMTDYDYLEVSYPIILNVELMLGAFVIPLSVISYCYYRISRIVAVSQSRHKGRIVRVLIAVVLVFIIFWLPYHLTLFVDTLKLLKWISSSCEFERSLKRALILTESLAFCHCCLNPLLYVFVGTKFRQELHCLLAEFRQRLFSRDVSWYHSMSFSRRSSPSRRETSSDTLSDEVCRVSQIIP
UniProt	P69332
Protein Data Bank	4xt1
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4xt1.
BioLiP	BL0309402,BL0309403
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4259
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	VUF-2274
Molecular formula	C28H29ClN2O
IUPAC name	5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight	445.003
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.6
Synonyms	A1-01967 5-(4-(4-chlorophenyl)-4-hydroxy-piperidin-1-yl)-2,2-diphenylpentanenitrile 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2,2-diphenyl-pentanenitrile NCGC00378719-01 AKOS024256779 ZINC3991118 5-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile CHEMBL34166 SCHEMBL8891715 1-Piperidinepentanenitrile, 4-(4-chlorophenyl)-4-hydroxy-a,a-diphenyl- BDBM50027216 5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentanenitrile L000124 [ Show all ]
Inchi Key	MEEJEEVTIVAOJP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2
PubChem CID	9889700
ChEMBL	CHEMBL34166
IUPHAR	N/A
BindingDB	50027216
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	3200.0 nM	PMID16190772	BindingDB,ChEMBL
EC50	4500.0 nM	PMID25052428	ChEMBL
EC50	4570.88 nM	PMID25052428	ChEMBL
Efficacy	-22.0 %	PMID25052428	ChEMBL
IC50	9300.0 nM	PMID16190772	BindingDB,ChEMBL

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