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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	2-Chloro-1-(3,4-dibromo-2-thienyl)-1-ethanone
Molecular formula	C6H3Br2ClOS
IUPAC name	2-chloro-1-(3,4-dibromothiophen-2-yl)ethanone
Molecular weight	318.407
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.6
Synonyms	RP16453 6Y-0810 Chloromethyl Thienyl Ketone deriv. 16 ZINC3884176 2-Chloro-1-(3,4-dibromo- thiophen-2-yl)-ethanone AKOS005070889 KB-169254 KS-00001YZZ 2-chloro-1-(3,4-dibromothiophen-2-yl)ethanone CHEMBL357136 SCHEMBL6788266 AC1MC9G1 CTK6H4760 BDBM7868 KB-86445 MolPort-001-760-565 62673-71-6 chlorodibromothienylethanone TR-063701 2-(Chloroacetyl)-3,4-dibromothiophene AJ-47041 DVHYHNZCCIEQQA-UHFFFAOYSA-N 2-chloro-1-(3,4-dibromothiophen-2-yl)ethan-1-one KM0648 [ Show all ]
Inchi Key	DVHYHNZCCIEQQA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H3Br2ClOS/c7-3-2-11-6(5(3)8)4(10)1-9/h2H,1H2
PubChem CID	2764204
ChEMBL	CHEMBL357136
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
Inhibition	12.0 %	PMID19747834	ChEMBL

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