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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	1-[(2-chlorophenyl)sulfanyl]-3-[4-(2-fluorophenyl)piperazino]-2-propanol
Molecular formula	C19H22ClFN2OS
IUPAC name	1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
Molecular weight	380.906
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	1-[(2-chlorophenyl)sulfanyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol CHEMBL1320396 SMR000169950 4H-463S KS-000037EG Bionet1_001812 MolPort-002-868-036 HMS2460L04 AC1NCQ95 MCULE-5698514989 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol Oprea1_836360 338421-90-2 HMS573G14 AKOS005091196 MLS000325625 [ Show all ]
Inchi Key	AJYMPTJHOJJOAX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22ClFN2OS/c20-16-5-1-4-8-19(16)25-14-15(24)13-22-9-11-23(12-10-22)18-7-3-2-6-17(18)21/h1-8,15,24H,9-14H2
PubChem CID	4562984
ChEMBL	CHEMBL1320396
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
Potency	44668.4 nM	PubChem BioAssay data set	ChEMBL

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