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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	UNII-UGT5535REQ
Molecular formula	C17H18ClNO
IUPAC name	(5R)-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	87075-17-0 CCG-204548 NCGC00024877-02 Sch 23388 UGT5535REQ 1H-3-Benzazepin-7-ol, 2,3,4,5-tetrahydro-8-chloro-3-methyl-5-phenyl-, (R)- Biomol-NT_000016 CHEMBL62 PDSP1_000615 SCH 23390,R(+) 8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol(SCH 23390) BRD-K45435259-003-03-8 Lopac0_000456 PDSP2_001507 SCHEMBL2916216 (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol AC1MI1XB CHEBI:92798 NCGC00024877-03 SCH 23390 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (R)- BPBio1_001173 CTK3F0072 PDSP1_001523 SCH-23390 CAS_87134-87-0 NCGC00024877-01 r-(+)-7-chloro-8-hydroxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine Tocris-0925 (R)-2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol BDBM82247 NCGC00024877-04 SCH 23390 (R-enantiomer) ZINC2017838 2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol (R)- BRD-K45435259-001-01-6 GOTMKOSCLKVOGG-OAHLLOKOSA-N PDSP2_000612 SCH23390 [ Show all ]
Inchi Key	GOTMKOSCLKVOGG-OAHLLOKOSA-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/t15-/m1/s1
PubChem CID	3036864
ChEMBL	CHEMBL62
IUPHAR	N/A
BindingDB	82247
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	100.0 %	PMID18562201	ChEMBL
IC50	0.74 nM	PMID18588282	ChEMBL
IC50	0.82 nM	PMID20875743	BindingDB
IC50	0.82 nM	PMID20875743	ChEMBL
IC50	0.96 nM	PMID18983139	ChEMBL
IC50	1.4 nM	PMID23403082	ChEMBL
IC50	1.7 nM	PMID24805037	BindingDB
IC50	2.52 nM	PMID22748706	BindingDB,ChEMBL
IC50	30.0 nM	PMID25308766	BindingDB
IC50	520.0 nM	PMID22748706	BindingDB,ChEMBL
IC50	600.0 nM	PMID23332346	BindingDB
Imax	80.05 %	PMID22748706	ChEMBL
Inhibition	-12.0 %	PMID23403082	ChEMBL
Kd	0.38 nM	PMID3263503	BindingDB,ChEMBL
Ki	0.1 nM	PMID25557493, PMID24805037	BindingDB
Ki	0.11 nM	PMID21726069	BindingDB,ChEMBL
Ki	0.15 nM	PMID2405157	BindingDB
Ki	0.15 nM	PMID2405157	BindingDB,ChEMBL
Ki	0.17 nM	PMID1531075, PMID1831904	BindingDB
Ki	0.3 nM	PMID1531365, PMID1973733	ChEMBL
Ki	0.3 nM	PMID1531365, PMID1973733	BindingDB
Ki	0.35 nM	PMID1826762	BindingDB
Ki	0.38 nM	PMID18983139	ChEMBL
Ki	0.4266 nM	PMID2527994	ChEMBL
Ki	0.7 nM	PMID23403082	ChEMBL
Ki	0.8 nM	PMID9686407, PMID18562201	BindingDB,ChEMBL
Ki	0.94 nM	PMID23018094	BindingDB
Ki	1.0 nM	PMID19643610	BindingDB
Ki	1.2 nM	PMID23332346	BindingDB
Ki	1.24 nM	PMID22748706	BindingDB,ChEMBL
Ki	1.4 nM	PMID20061148	BindingDB,ChEMBL
Ki	1.69 nM	PMID26227779	ChEMBL
Ki	1.7 nM	PMID26227779	BindingDB
Ki	15.0 nM	PMID1831904	BindingDB
Ki	24.0 nM	PMID2405157	ChEMBL
Ki	41.0 nM	PMID1826762	BindingDB
nH	1.05 -	PMID8558526	ChEMBL
Potency	3.7 nM	PubChem BioAssay data set	ChEMBL
Potency	14.6 nM	PubChem BioAssay data set	ChEMBL
Potency	1584890.0 nM	PubChem BioAssay data set	ChEMBL