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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	SMR000028039
Molecular formula	C20H18N2O4S
IUPAC name	N-(1,3-benzodioxol-5-yl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
Molecular weight	382.434
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.8
Synonyms	N-1,3-benzodioxol-5-yl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide cid_3242817 AKOS001811956 MLS000092489 N-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-keto-4-quinolyl)thio]acetamide HMS2441L05 BDBM47104 N-(1,3-benzodioxol-5-yl)-2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide N-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-oxo-4-quinolinyl)thio]acetamide CHEMBL1575003 ZINC4076664 AC1MMQG6 MCULE-3924464342 N-(1,3-benzodioxol-5-yl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide CHEBI:116900 [ Show all ]
Inchi Key	BKYJKWFYEDIXAQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N2O4S/c1-2-22-15-6-4-3-5-14(15)18(10-20(22)24)27-11-19(23)21-13-7-8-16-17(9-13)26-12-25-16/h3-10H,2,11-12H2,1H3,(H,21,23)
PubChem CID	3242817
ChEMBL	CHEMBL1575003
IUPHAR	N/A
BindingDB	47104
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.0109 nM	N/A	BindingDB

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