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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	158985-00-3
Molecular formula	C18H19ClN4
IUPAC name	3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight	326.828
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.4
Synonyms	3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine API0003103 CCG-204875 FT-0689275 Lopac-L-131 NCGC00015588-05 Tocris-1002 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine BPBio1_001299 CHEMBL267014 L 745,870 LS-187628 NCGC00024931-03 C099630000 DA-09764 L000337 NCGC00015588-03 PDSP2_001560 3-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo[2,3-b]pyridine BDBM85093 CHEBI:92099 GTPL3303 Lopac0_000791 NCGC00024931-01 UNII-J3OLN3XSX7 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine BRD-K05528470-001-01-9 CPMPP-3 L-745,870 NCGC00015588-01 NSC_3853 1H-Pyrrolo[2,3-b]pyridine,3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]- AC1NSK75 CAS_3853 DTXSID40415513 L745870 NCGC00015588-04 SCHEMBL1059886 3-(4-[4-Chlorophenyl]piperazin-1-yl)-methyl-1H-pyrrolo[2,3-b]pyridine trihydrochloride Biomol-NT_000049 J3OLN3XSX7 LS-186986 NCGC00024931-02 ZINC95803215 BRD-K05528470-305-01-4 D0N1HW L-745870 NCGC00015588-02 PDSP1_001576 [ Show all ]
Inchi Key	OGJGQVFWEPNYSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
PubChem CID	5311200
ChEMBL	CHEMBL267014
IUPHAR	3303
BindingDB	85093
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	80.0 nM	PMID9873481	BindingDB
Ki	<3030.0 nM	PMID10602703, PMID9873377	BindingDB,ChEMBL
Ki	<10000.0 nM	PMID19481941	PDSP
Ki	1000.0 nM	PMID16135699	PDSP,BindingDB
Ki	2300.0 nM	PMID8642550, PMID24800940, PMID10098669	BindingDB,ChEMBL
Ki	22000.0 nM	PMID11844688, PMID19481941	BindingDB,ChEMBL
Ki	29000.0 nM	PMID9990464	BindingDB,ChEMBL
Ki	30902.9 nM	PMID17266201	ChEMBL

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