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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	CGS 12066B
Molecular formula	C17H17F3N4
IUPAC name	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight	334.346
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	SCHEMBL1660466 109028-09-3 Cgs 12066 CHEBI:64055 L000723 NCGC00015180-04 NCGC00024701-02 ZINC2516018 4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline Biomol-NT_000089 CGS-12066 CTK6I3092 LS-187235 Pyrrolo(1,2-a)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- 7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt CAS_109028-10-6 CGS-12066B FT-0708356 NCGC00015180-02 Tocris-0638 109028-10-6 AC1L1E8Q Lopac-C-106 NCGC00015180-05 NCGC00024701-03 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline BPBio1_001091 CGS-12066A D0Q1ER LXFHSCDLMBZYKY-UHFFFAOYSA-N Pyrrolo[1,2-a]quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- 7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline CCG-204427 CGS12066 GTPL109 NCGC00015180-03 UNII-5TB4SXQ7HG 4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline # BDBM81497 CGS 12066B-parent CHEMBL27403 Lopac0_000332 NCGC00024701-01 NSC_123945 5TB4SXQ7HG BRD-K18909381-001-01-4 CGS-12066A maleate salt DTXSID3043730 NCGC00015180-01 [ Show all ]
Inchi Key	LXFHSCDLMBZYKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
PubChem CID	2689
ChEMBL	CHEMBL27403
IUPHAR	109
BindingDB	81497
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	580.0 nM	PMID9686407	BindingDB

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