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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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-81297
Molecular formula	C16H16ClNO2
IUPAC name	9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Molecular weight	289.759
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.7
Synonyms	6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol CHEBI:91517 GTPL938 NSC_1218 SKF 81297 hydrochloride 6-chloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine BDBM86282 cid_11957706 LS-176906 R(+)SKF81297 SKF81297 1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl- CAS_1218 DTXSID3043815 NCGC00025166-02 SK&F-81297 6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide AC1L1AZH L000565 PDSP1_001526 SKF-81,297 6-Chloro-PB hydrobromide BRD-A09828896-004-04-5 CTK5D4764 NCGC00015910-03 SCHEMBL398776 6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CCG-205236 GHWJEDJMOVUXEC-UHFFFAOYSA-N NCGC00163159-01 SKF 81297 6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol AC1Q3LHK CHEMBL353335 Lopac0_001162 PDSP2_001510 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl- 71636-61-8 C16H16ClNO2 D02DHU NCGC00015910-04 SK&F 81297 [ Show all ]
Inchi Key	GHWJEDJMOVUXEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
PubChem CID	1218
ChEMBL	CHEMBL353335
IUPHAR	938
BindingDB	86282
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	7.0 nM	PMID1684995	BindingDB
Ki	112.0 nM	PMID9686407	PDSP
Potency	6.5 nM	PubChem BioAssay data set	ChEMBL
Potency	16.4 nM	PubChem BioAssay data set	ChEMBL
Potency	50.1 nM	PubChem BioAssay data set	ChEMBL
Potency	63.1 nM	PubChem BioAssay data set	ChEMBL

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