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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	CHEMBL282136
Molecular formula	C17H18N2O2
IUPAC name	(6aR,12bS)-4-methyl-5,6,6a,7,8,12b-hexahydronaphtho[2,1-c][2,6]naphthyridine-10,11-diol
Molecular weight	282.343
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	1.8
Synonyms	BDBM50077640 (6aR,12bS)-4-Methyl-5,6,6a,7,8,12b-hexahydro-2,6-diaza-benzo[c]phenanthrene-10,11-diol (6aR)-4-Methyl-5,6,6abeta,7,8,12balpha-hexahydro-2,6-diazabenzo[c]phenanthrene-10,11-diol
Inchi Key	AUENKTRXUKDSTC-PBHICJAKSA-N
Inchi ID	InChI=1S/C17H18N2O2/c1-9-6-18-7-13-12(9)8-19-14-3-2-10-4-15(20)16(21)5-11(10)17(13)14/h4-7,14,17,19-21H,2-3,8H2,1H3/t14-,17+/m1/s1
PubChem CID	44276557
ChEMBL	CHEMBL282136
IUPHAR	N/A
BindingDB	50077640
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	230.0 nM	PMID10360732	BindingDB,ChEMBL
Intrinsic activity	75.0 %	PMID10360732	ChEMBL
Ki	1100.0 nM	PMID10360732	BindingDB,ChEMBL

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