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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	S33084
Molecular formula	C29H29N3O2
IUPAC name	N-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
Molecular weight	451.57
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	SCHEMBL7395470 D0K5EE N-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide S-33084 GTPL129 BDBM85672 PDSP2_001397 CHEMBL65280 273203-30-8 LS-44225 S 33084 Benzopyrano[3,4-c]pyrrole derivs, Servier [ Show all ]
Inchi Key	QQJHRQZZCNYDMX-VPUSJEBWSA-N
Inchi ID	InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
PubChem CID	9868452
ChEMBL	CHEMBL65280
IUPHAR	129
BindingDB	85672
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	0.25 nM	PMID10869410	BindingDB,IUPHAR
Ki	0.26 nM	PMID14978194	BindingDB
Ki	0.302 nM	PMID10832613	BindingDB
Ki	0.3162 nM	PMID10450981	ChEMBL
Ki	0.316228 nM	PMID10450981	BindingDB
Ki	0.372 nM	PMID10832613	BindingDB
Ki	0.4 nM	PMID10869410	BindingDB
Ki	0.933 nM	PMID10832613	BindingDB
Log Ki	8.6 nM	PMID15916415	ChEMBL

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