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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	Rattus norvegicus (Rat)
Gene	Drd1
Synonym	D1 receptor D1A DADR dopamine D1 receptor Dopamine-1A receptor Gpcr15 [ Show all ]
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MAPNTSTMDEAGLPAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPLGPFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDTEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPVECAQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFQKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKKEEAGGIAKPLEKLSPALSVILDYDTDVSLEKIQPVTHSGQHST
UniProt	P18901
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL265
IUPHAR	214
DrugBank	N/A

Ligand

Name	CHEMBL57579
Molecular formula	C16H16ClNO
IUPAC name	6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol
Molecular weight	273.76
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.8
Synonyms	1-Phenyl-2-methyl-6-chloro-1,2,3,4-tetrahydroisoquinoline-7-ol 6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-isoquinolin-7-ol 1-Phenyl-6-chloro-7-hydroxy-N-methyl-1,2,3,4-tetrahydroisoquinoline BDBM50022051
Inchi Key	AVXGCGYACIYZAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3
PubChem CID	14198584
ChEMBL	CHEMBL57579
IUPHAR	N/A
BindingDB	50022051
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Log K0.5	8.28 -	PMID10464009	ChEMBL
Ki	12.5 nM	PMID3050089	BindingDB,ChEMBL
Ki	40.27 nM	PMID19540762	ChEMBL

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