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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL301475
Molecular formula	C25H26F3N3O4S
IUPAC name	[2-[4-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] trifluoromethanesulfonate
Molecular weight	521.555
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.8
Synonyms	SCHEMBL7855330 BDBM50217168 L017930 Trifluoromethanesulfonic acid 2-[4-[[(E)-3-(1H-indole-3-yl)acryloyl]amino]butyl]-1,2,3,4-tetrahydroisoquinoline-7-yl ester SCHEMBL7853940
Inchi Key	AFKRYMMWFODFAD-CSKARUKUSA-N
Inchi ID	InChI=1S/C25H26F3N3O4S/c26-25(27,28)36(33,34)35-21-9-7-18-11-14-31(17-20(18)15-21)13-4-3-12-29-24(32)10-8-19-16-30-23-6-2-1-5-22(19)23/h1-2,5-10,15-16,30H,3-4,11-14,17H2,(H,29,32)/b10-8+
PubChem CID	22132503
ChEMBL	CHEMBL301475
IUPHAR	N/A
BindingDB	50217168
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.981 nM	PMID10021923	ChEMBL
Ki	4.0 nM	PMID10021923	BindingDB
pKb	8.9 -	PMID10021923	ChEMBL

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