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GLASS

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GPCR

Name	D(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

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	SMR000018491 537668-27-2 G856-0781 2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indol-4-one BDBM48977 MCULE-4449284379 NCGC00135576-01 3-methyl-2-(sec-butylthio)-5H-pyrimid[5,4-b]indol-4-one cid_3254362 ZINC02720595 AC1MM2KH HMS1901O12 2-(sec-butylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one CCG-96912 Oprea1_579941 F0580-0062 ZINC02720596 AKOS002053715 HMS2252E17 MolPort-003-028-920 2-butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one CHEMBL1556242 [ 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	0.0125 nM	N/A	BindingDB

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