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GLASS

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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	MLS000101323
Molecular formula	C15H17N3OS
IUPAC name	2-butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Molecular weight	287.381
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.6
Synonyms	HMS2252E17 ZINC02720596 AKOS002053715 MolPort-003-028-920 2-butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one CHEMBL1556242 G856-0781 SMR000018491 537668-27-2 MCULE-4449284379 2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indol-4-one BDBM48977 NCGC00135576-01 3-methyl-2-(sec-butylthio)-5H-pyrimid[5,4-b]indol-4-one cid_3254362 HMS1901O12 ZINC02720595 AC1MM2KH 2-(sec-butylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one CCG-96912 F0580-0062 Oprea1_579941 [ Show all ]
Inchi Key	BQVFSSLPCMGBHL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N3OS/c1-4-9(2)20-15-17-12-10-7-5-6-8-11(10)16-13(12)14(19)18(15)3/h5-9,16H,4H2,1-3H3
PubChem CID	3254362
ChEMBL	N/A
IUPHAR	N/A
BindingDB	48977
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	0.00836 nM	N/A	BindingDB

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