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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1258493
Molecular formula	C24H31N5O2S
IUPAC name	5-[5-[3-(8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
Molecular weight	453.605
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50417128 SCHEMBL2496826
Inchi Key	AFYFGCAEDGKSJG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31N5O2S/c1-17-21(31-16-25-17)22-26-27-23(28(22)2)32-14-6-12-29-13-11-24(15-29)10-5-7-18-19(24)8-4-9-20(18)30-3/h4,8-9,16H,5-7,10-15H2,1-3H3
PubChem CID	24758836
ChEMBL	CHEMBL1258493
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	79.43 nM	PMID20839775	ChEMBL

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