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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	D(3) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD3
Synonym	dopaminergic receptor D3 D3R D3 receptor dopamine D3 receptor
Disease	Unspecified Emesis; Gastric motility disorder Female sexual dysfunction Male sexual disorders Psychotic disorders Cocaine addiction Schizophrenia Drug abuse [ Show all ]
Length	400
Amino acid sequence	MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProt	P35462
Protein Data Bank	3pbl
GPCR-HGmod model	P35462
3D structure model	This structure is from PDB ID 3pbl.
BioLiP	BL0191566, BL0191567
Therapeutic Target Database	T02551
ChEMBL	CHEMBL234
IUPHAR	216
DrugBank	BE0000581

Ligand

Name	CHEMBL484202
Molecular formula	C29H34N4
IUPAC name	4-ethynyl-N-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]-N-propylcyclohex-3-en-1-amine
Molecular weight	438.619
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.9
Synonyms	BDBM50274407 N-[4-[4-(4-Biphenyl)triazol-1-yl]butyl]-N-propyl-N-(4-ethynylcyclohex-3-en-1-yl)amine
Inchi Key	GOPCNWYYZCPBLJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34N4/c1-3-20-32(28-18-12-24(4-2)13-19-28)21-8-9-22-33-23-29(30-31-33)27-16-14-26(15-17-27)25-10-6-5-7-11-25/h2,5-7,10-12,14-17,23,28H,3,8-9,13,18-22H2,1H3
PubChem CID	25139479
ChEMBL	CHEMBL484202
IUPHAR	N/A
BindingDB	50274407
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	2.6 nM	PMID18834111	BindingDB,ChEMBL
EC50	3.1 nM	PMID18834111	BindingDB,ChEMBL
Efficacy	40.0 %	PMID18834111	ChEMBL
Efficacy	64.0 %	PMID18834111	ChEMBL
Ki	1.3 nM	PMID18834111	BindingDB,ChEMBL
Ki	2.5 nM	PMID18834111	BindingDB,ChEMBL

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