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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	n-Propylapomorphine
Molecular formula	C19H21NO2
IUPAC name	(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Molecular weight	295.382
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.2
Synonyms	(-)-NPA 4H-Dibenzo[de,g]quinoline-10,11-diol,5,6,6a,7-tetrahydro-6-propyl-, (6aR)- AC1Q7BE4 GTPL969 Noraporphine-10,11-diol, 6-propyl- R-N-PROPYLNORAPOMORPHINE (R) 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol Biomol-NT_000080 cid_11957529 N-Propylnorapomorphine PDSP1_001509 UNII-NH381P1BR8 (+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (-)-N-porphynorapomorphine 10,11-Dihydroxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium(R(-)NPA) CCG-204527 D06DGY NCGC00162153-03 PDSP2_001493 (6ar)-6-propyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol BDBM50007422 CHEMBL225230 Lopac0_000435 PDSP1_000852 SCHEMBL7997518 (R)-10,11-Dihydroxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol; hydrochloride BPBio1_001404 CTK4D8694 N-propylnorapomorphine-(+) PDSP2_000839 Win-28928 (-)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (-)-N-Propylnorapomorphine 18426-20-5 AC1L50G2 CHEBI:92234 D07XYQ NH381P1BR8 r(-)-10,11-dihydroxy-N-n-propylnoraporphine (9R)-10-propyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol BDBM50012994 CHEMBL538542 PDSP1_000853 SKF-76783 (R)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol 6-Propylnoraporphine-10,11-diol BRD-K13544237-001-01-0 D-027 N-propylnorapomorphine-(-) PDSP2_000840 ZINC2539817 (-)-6-Propylnorapomorphine [ Show all ]
Inchi Key	BTGAJCKRXPNBFI-OAHLLOKOSA-N
Inchi ID	InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
PubChem CID	167715
ChEMBL	CHEMBL225230
IUPHAR	969
BindingDB	50007422, 50012994
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	1816.0 nM	PMID8632409	BindingDB,ChEMBL
Ki	1.0 nM	PMID21666830	BindingDB,ChEMBL
Ki	490.0 nM	PMID21666830	BindingDB,ChEMBL
Ki	645.0 nM	PMID1826762	BindingDB
Ki	1510.0 nM	PMID9784114	BindingDB,ChEMBL
Log 1/Kd	-3.26 -	PMID8632409	ChEMBL
Potency	46.1 nM	PubChem BioAssay data set	ChEMBL
Potency	163.6 nM	PubChem BioAssay data set	ChEMBL
Potency	316.2 nM	PubChem BioAssay data set	ChEMBL
Potency	354.8 nM	PubChem BioAssay data set	ChEMBL

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