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GLASS

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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	MLS000674842
Molecular formula	C19H24Cl2N2O
IUPAC name	(4-benzylpiperazin-1-yl)-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone
Molecular weight	367.314
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.0
Synonyms	cid_2935972 SR-01000259344-1 (4-benzylpiperazin-1-yl)-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone AKOS002194825 Z57782389 1-benzyl-4-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]piperazine SMR000291884 617694-01-6 HMS2705D17 SR-01000259344-3 (4-benzylpiperazin-1-yl)[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone AKOS016067901 MolPort-000-209-158 [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-(phenylmethyl)-1-piperazinyl]methanone 1-benzyl-4-{[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}piperazine CHEMBL1572258 SR-01000259344 AC1MGHHI MCULE-1049842875 STK880604 (4-benzylpiperazino)-[3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropyl]methanone BDBM114614 Opera_ID_1567 [3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropyl]-[4-(phenylmethyl)piperazin-1-yl]methanone [ Show all ]
Inchi Key	JSUMINOYTNFNDX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24Cl2N2O/c1-19(2)15(12-16(20)21)17(19)18(24)23-10-8-22(9-11-23)13-14-6-4-3-5-7-14/h3-7,12,15,17H,8-11,13H2,1-2H3
PubChem CID	2935972
ChEMBL	CHEMBL1572258
IUPHAR	N/A
BindingDB	114614
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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