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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	SMR000093497
Molecular formula	C18H21NO4
IUPAC name	2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
Molecular weight	315.369
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	6-(2-furyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid isobutyl ester cid_5308593 SR-01000123854 2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate AKOS022034593 MLS000116527 ST50641494 SCHEMBL2019581 AC1NSF27 isobutyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate SR-01000123854-1 2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate BDBM48971 MolPort-000-912-848 STK405856 6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methylpropyl ester CHEMBL1389029 2-methylpropyl 6-(2-furyl)-3-methyl-4-oxo-5,6,7-trihydroindole-2-carboxylate AKOS003375393 MCULE-1191579330 SR-01000123854-3 2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate CCG-128425 NCGC00083541-02 [ Show all ]
Inchi Key	BKTVAGCHZGSVFM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21NO4/c1-10(2)9-23-18(21)17-11(3)16-13(19-17)7-12(8-14(16)20)15-5-4-6-22-15/h4-6,10,12,19H,7-9H2,1-3H3
PubChem CID	5308593
ChEMBL	CHEMBL1389029
IUPHAR	N/A
BindingDB	48971
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	0.00175 nM	N/A	BindingDB

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