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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-82958
Molecular formula	C19H20ClNO2
IUPAC name	9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight	329.824
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.9
Synonyms	Biomol-NT_000069 CS-4594 NCGC00015186-03 SK&F 82958 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)- 6-Chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine CCG-204486 HY-10435 NCGC00162140-02 SKF 82958 ( inverted exclamation markA)-SKF 82958;Chloro-APB 3-allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol AC1L1B02 BCP15774 CHEMBL35354 LS-27998 RS(+/-)-6-Cl-APB3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol (+/-)-SKF-82958 hydrobromide BPBio1_001362 CTK5E8087 NCGC00015186-04 SK&F-82958 1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)- 80751-65-1 AC1Q3LHJ CHEBI:111172 L000995 PDSP1_001515 SKF-82,958 (+/-)-chloro-apb hydrobromide ((+/-)-skf -82958 hbr) 3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide(Cl-APB) BDBM50004917 Cl-Apb NCGC00015186-02 SCHEMBL4388800 6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)-1h-3-benzazepine-7,8-diol BRD-A04438777-001-01-4 FT-0650598 NCGC00162140-01 SK-82958 3-allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol AKOS030526181 Lopac0_000392 PDSP2_001499 (+/-)-SKF -82958 HBr 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol [ Show all ]
Inchi Key	HJWHHQIVUHOBQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
PubChem CID	1225
ChEMBL	CHEMBL35354
IUPHAR	N/A
BindingDB	50004917
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	5.5 nM	PMID1684995	BindingDB
Ki	22.0 nM	PMID9686407	PDSP,BindingDB
Potency	18.4 nM	PubChem BioAssay data set	ChEMBL
Potency	22.4 nM	PubChem BioAssay data set	ChEMBL
Potency	63.1 nM	PubChem BioAssay data set	ChEMBL

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