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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(1B) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD5
Synonym	Gpcr1 DRD1L2 DRD1B dopamine receptor 5 Dopamine D5 receptor D5 receptor D1beta dopamine receptor D(5) dopamine receptor D(1B) dopamine receptor [ Show all ]
Disease	Solid tumours Schizophrenia
Length	477
Amino acid sequence	MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANWTPWEEDFWEPDVNAENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSSAACAPDTSLRASIKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSGHPEGPPAGFPCVSETTFDVFVWFGWANSSLNPVIYAFNADFQKVFAQLLGCSHFCSRTPVETVNISNELISYNQDIVFHKEIAAAYIHMMPNAVTPGNREVDNDEEEGPFDRMFQIYQTSPDGDPVAESVWELDCEGEISLDKITPFTPNGFH
UniProt	P21918
Protein Data Bank	N/A
GPCR-HGmod model	P21918
3D structure model	This predicted structure model is from GPCR-EXP P21918.
BioLiP	N/A
Therapeutic Target Database	T46828
ChEMBL	CHEMBL1850
IUPHAR	218
DrugBank	BE0000145, BE0004889

Ligand

Name	SKF 83822
Molecular formula	C20H22ClNO2
IUPAC name	9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight	343.851
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.2
Synonyms	6-Chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-propenyl)-1H-3-benzazepine-7,8-diol DTXSID3043819 SKF-83822 N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol 3-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CHEBI:64004 SK&F 83822 661JNG0144 J2.054.792H UNII-661JNG0144 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-propen-1-yl)- BDBM86277 SCHEMBL7329572 6-chloro-1-(3-methylphenyl)-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CHEMBL1196161 74115-08-5 MCL-210 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-propenyl)- BRD-A14969012-001-01-1 SK and F 83822 [ Show all ]
Inchi Key	HLNOXCRCYMOMLA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22ClNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3
PubChem CID	10020353
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86277
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	9.94 nM	PMID12921854	BindingDB

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