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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	Skf-77434
Molecular formula	C19H21NO2
IUPAC name	5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight	295.382
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.6
Synonyms	SK&F 77434 1-phenyl-3-prop-2-en-1-yl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CHEBI:63988 N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol SKF-77,434 1H-3-Benzazepine-7,8-diol,2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)- ACMC-20calx CTK4A3038 NCGC00015915-04 PDSP2_001509 (+/-)-SKF 38393, N-allyl-, hydrobromide 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine BRD-A64227845-004-02-8 Lopac0_001143 SKF 38393, N-allyl-, hydrobromide 104422-04-0 AC1L1B1E N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine NCGC00025249-02 (+)-7,8-di-hydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine 3-allyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol AKOS030239137 DTXSID3043817 SCHEMBL7390591 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CCG-205217 LS-171920 SKF 77434 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)- AC1Q79PZ CHEMBL288090 NCGC00015915-03 PDSP1_001525 (+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol 3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride BDBM50004918 L001232 [ Show all ]
Inchi Key	QBUVZVXIRYFENV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2
PubChem CID	1241
ChEMBL	CHEMBL288090
IUPHAR	N/A
BindingDB	50004918
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	12.0 nM	PMID1684995	BindingDB
Ki	73.0 nM	PMID9686407	PDSP,BindingDB
Potency	7.3 nM	PubChem BioAssay data set	ChEMBL
Potency	29.1 nM	PubChem BioAssay data set	ChEMBL
Potency	100.0 nM	PubChem BioAssay data set	ChEMBL

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