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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	Nafadotride
Molecular formula	C22H27N3O2
IUPAC name	N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide
Molecular weight	365.477
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	MolPort-023-276-076 SCHEMBL635866 4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1-butyl-pyrrolidin-2-ylmethyl)-amide BRD-A71262238-001-04-3 DB-043003 HMS3394A15 N-[(1-Butyl-2-pyrrolidinyl)methyl]-4-cyano-1-Methoxy-2naphthalenecarboxamide SR-01000597572-1 A1-01951 GTPL44 L000428 MLS000758952 NC00369 (+-)-nafadotride BCP27779 CTK8H0240 HMS3267P15 N-((1-butylpyrrolidin-2-yl)methyl)-4-cyano-1-methoxy-2-naphthamide SMR000466292 CCG-101119 DTXSID1042603 J-008605 N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide TRA0072321 AC1MPBUT CHEMBL286252 HMS2052A15 LS-186981 MLS001424218 SAM001247092 149649-22-9 BDBM50133923 D0W1HM HMS3370D02 N-[(1-BUTYL-2-PYRROLIDINYL)METHYL]-4-CYANO-1-METHOXY-2-NAPHTHALENECARBOXAMIDE SR-01000597572 CHEBI:64191 FT-0643448 KB-125336 AKOS024257976 CPD000466292 HMS2232B11 LS-187623 [ Show all ]
Inchi Key	IDZASIQMRGPBCQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
PubChem CID	3408722
ChEMBL	CHEMBL286252
IUPHAR	44
BindingDB	50133923
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	0.11 nM	PMID14998318	BindingDB
Ki	0.11 nM	PMID14998318	ChEMBL
Ki	0.3 nM	PMID8531087	IUPHAR
Ki	0.81 nM	PMID14521403	ChEMBL
Ki	0.81 nM	PMID14521403	BindingDB

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