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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	SCH 23390
Molecular formula	C17H18ClNO
IUPAC name	8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular weight	287.787
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.0
Synonyms	2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol (R)- 95191-55-2 CHEMBL13668 LS-28022 SCH23390 8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol ACMC-20dd35 D0L8PI PDSP2_001491 [3H]SCH-23390 1H-3-Benzazepin-7-ol, 2,3,4,5-tetrahydro-8-chloro-3-methyl-5-phenyl-, (R)- CHEBI:73297 GTPL946 Sch-23388 3-Methyl-5-phenyl-8-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7-ol AC1L1JFI CTK3F4102 NSC_5018 SCHEMBL5722114 8-chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepin-7-ol BDBM86180 GOTMKOSCLKVOGG-UHFFFAOYSA-N Sch 23388 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl- L000549 SCH-23390 7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol AC1Q3LCZ D09GBZ PDSP1_001507 [3H]-SCH23390 CAS_87075-17-0 GTPL943 [ Show all ]
Inchi Key	GOTMKOSCLKVOGG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
PubChem CID	5018
ChEMBL	CHEMBL13668
IUPHAR	943, 946
BindingDB	86180
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.31 nM	PMID26988801, PMID27876250	ChEMBL
IC50	2.52 nM	, None	BindingDB,ChEMBL
IC50	3.1 nM	PMID26988801, PMID27876250	BindingDB
IC50	520.0 nM	PMID27232055	BindingDB
IC50	600.0 nM	PMID23332346	ChEMBL
IC50	740.0 nM	, None	BindingDB,ChEMBL
Imax	83.5 %	PMID23332346	ChEMBL
Inhibition	100.0 %	PMID23332346	ChEMBL
Kd	0.3 nM	PMID2168520	IUPHAR
Ki	0.316228 - 39.8107 nM	PMID1826762, PMID7525564	IUPHAR
Ki	0.35 nM	PMID1826762	PDSP
Ki	0.8 nM	PMID18562201	PDSP
Ki	0.8 nM	PMID9686407	PDSP
Ki	1.2 nM	PMID23332346	ChEMBL
Ki	1.24 nM	, None	BindingDB,ChEMBL
Ki	1.69 nM	PMID27232055	BindingDB
Ki	41.0 nM	PMID1826762	PDSP

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