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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	CHEMBL201170
Molecular formula	C18H21NO
IUPAC name	11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol
Molecular weight	267.372
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50180913 11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol LE404 11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-6-ol ZINC13679816 7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecin-3-ol 3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine [ Show all ]
Inchi Key	ODBZJKXOIQSFOA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
PubChem CID	11558055
ChEMBL	CHEMBL201170
IUPHAR	N/A
BindingDB	50180913
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	0.3548 nM	PMID18534847	ChEMBL
Ki	0.355 nM	PMID18534847	BindingDB
Ki	0.39 nM	PMID16420061, PMID16539400, PMID17188870, PMID19744859	BindingDB,ChEMBL
Ki	0.4 nM	MedChemComm, (2015) 6:9:1679	ChEMBL
Ki	1.35 nM	PMID16539400	BindingDB,ChEMBL
Ki	6.93 nM	PMID16420061	BindingDB

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