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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	SKF 38393
Molecular formula	C16H17NO2
IUPAC name	5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Molecular weight	255.317
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol(SKF 38393) 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol BCP16347 C16H17NO2 D0OU7P NCGC00015299-03 PDSP2_001508 SK-38393 SPECTRUM1505101 (A+/-)-SKF-38393 hydrochloride 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl- 67287-49-4 BPBio1_001229 CHEBI:131801 L000563 NCGC00015299-06 RS(+/-)SKF 383931-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol SKF 38393-A 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine AC1Q79Q0 BRN 1543419 cid_147514 MolPort-003-666-576 NCGC00024875-04 SK&F-38393 SKF38393 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride(SKF 38393) BDBM50004923 CCG-204528 GTPL935 NCGC00015299-04 R(+)SKF38393 SK-383933 1H-3-Benzazepine-7,8-diol,2,3,4,5-tetrahydro-1-phenyl-, hydrochloride (1:1) BRD-A88548664-001-02-3 Lopac0_000436 NCGC00024875-02 SCHEMBL469578 SKF-38,393 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol (SK&F 38393) 5-21-05-00258 (Beilstein Handbook Reference) API0009306 BSPBio_002384 CTK5B5738 NCG-C00093856-01 PDSP1_001524 SK&F-383933 SKF38393(hydrochloride) (+/-)-SKF-38393 159795-65-0 6-PHENYL-4-AZOBICYCLO[5.4.0]UNDECA-7,9,11-TRIENE-9,10-DIOL Biomol-NT_000034 CHEBI:110200 KS-00001CZ8 NCGC00015299-05 R-SK&F 38393 1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol AC1L1B1H BRD-A88548664-004-01-9 CHEMBL286080 LS-27997 NCGC00024875-03 SK&F 38393 SKF-38393 [ Show all ]
Inchi Key	JUDKOGFHZYMDMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
PubChem CID	1242
ChEMBL	CHEMBL286080
IUPHAR	935
BindingDB	50004923
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	130.0 nM	PMID23332346	BindingDB,ChEMBL
EC50	140.0 nM	PMID27232055	BindingDB
EC50	170.0 nM	PMID22748706	BindingDB,ChEMBL
EC50	180.0 nM	PMID25308766	BindingDB,ChEMBL
EC50	247.5 nM	, None	BindingDB,ChEMBL
EC50	300.0 nM	PMID19559623	ChEMBL
EC50	386.0 nM	PMID1977907	BindingDB,ChEMBL
Emax	100.0 %	PMID23332346, PMID22748706	ChEMBL
IA	61.0 %	PMID1977907	ChEMBL
Ki	25.0 nM	PMID1684995	BindingDB
Ki	56.0 nM	PMID7658429	PDSP
Ki	150.0 nM	PMID1826762	PDSP
Ki	158.0 - 631.0 nM	PMID1826762, PMID7525564	IUPHAR
Ki	190.0 nM	PMID19559623, PMID18835172	BindingDB,ChEMBL
Ki	393.0 nM	PMID19559623, PMID25076379	BindingDB,ChEMBL
Ki	987.0 nM	PMID9686407	PDSP
Potency	46.1 nM	PubChem BioAssay data set	ChEMBL
Potency	1000.0 nM	PubChem BioAssay data set	ChEMBL

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