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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	GR 103691
Molecular formula	C30H35N3O3
IUPAC name	4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight	485.628
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	4'-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1'-biphenyl]-4-carboxamide B6600 CAS-162408-66-4 DSSTox_GSID_42602 GR-103691 NCGC00025004-02 Tox21_110943 162408-66-4 BDBM50342717 FT-0643571 J-009934 RT-013113 ZINC3810247 4''-acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)biphenyl-4-carboxamide AKOS022181851 BRD-K50891186-001-01-0 DB-043523 GR 103691, >=98% (HPLC), solid MolPort-003-941-435 SR-01000597384-1 4'-acetyl-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}biphenyl-4-carboxamide BCP27715 CC-17652 DSSTox_RID_80056 gr103691 NCGC00025004-03 Tox21_110943_1 (1,1'-Biphenyl)-4-carboxamide, 4'-acetyl-N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- 4 inverted exclamation marka-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1 inverted exclamation marka-biphenyl]-4-carboxamide AC1N7ICA Biomol-NT_000041 CHEMBL294747 GR 103,691 KB-188935 SCHEMBL1156684 4'-acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)biphenyl-4-carboxamide AN-16951 C-35643 DSSTox_CID_22602 GR 103691\|4'-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1'-biphenyl]-4-carboxamide NCGC00025004-01 Tocris-1109 0Y0CM1A77L 4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide BCP9000730 CHEBI:92882 DTXSID6042602 HMS3267K12 NCGC00025004-04 UNII-0Y0CM1A77L 4''-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide AJ-45670 BPBio1_001263 CTK8E8996 MFCD00936840 SR-01000597384 [ Show all ]
Inchi Key	JARNORYOPMINDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
PubChem CID	4302960
ChEMBL	CHEMBL294747
IUPHAR	N/A
BindingDB	50342717
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	0.3162 nM	Bioorg. Med. Chem. Lett., (1997) 7:15:1995, Bioorg. Med. Chem. Lett., (1995) 5:3:219	ChEMBL
Ki	0.316228 nM	N/A	BindingDB
Ki	0.32 nM	, PMID21273071	BindingDB,ChEMBL

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