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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(1) dopamine receptor
Species	Carassius auratus (Goldfish)
Gene
Synonym	Dopamine D1 receptor
Disease	N/A for non-human GPCRs
Length	363
Amino acid sequence	MAVLDLNLTTVIDSGFMESDRSVRVLTGCFLSVLILSTLLGNTLVCAAVTKFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVTEVAGFWPFGAFCDIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPRVAFVMISGAWTLSVLISFIPVQLKWHKAQPIGFLEVNASRRDLPTDNCDSSLNRTYAISSSLISFYIPVAIMIVTYTQIYRIAQKQIRRISALERAAESAQIRHDSMGSGSNMDLESSFKLSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCKRTSNGLPCISPTTFDVFVWFGWANSSLNPIIYAFNADFRRAFAILLGCQRLCPGSISMETPSLNKN
UniProt	P35406
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	CHEMBL2368
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	A-77636
Molecular formula	C20H27NO3
IUPAC name	(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol
Molecular weight	329.44
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.0
Synonyms	SR-01000778309 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride BDBM50033116 CHEMBL291143 NCGC00015025-01 NCGC00025265-03 UNII-8PDA66H6ZI (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol BPBio1_001355 DTXSID1043887 SCHEMBL17265599 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol;hydrochloride 1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-tricyclo(3.3.1.13,7)dec-1-yl-, (1R,3S)- A-77637 CHEBI:64080 Lopac0_000129 SR-01000778309-2 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)isochroman-5,6-diol 778546-51-3 BDBM65550 cid_6603703 NCGC00025265-01 NCGC00025265-04 ZINC3782517 (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol BRD-K24396733-001-01-1 GTPL9637 SMR000326988 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol 1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-tricyclo(3.3.1.13,7)dec-1-yl-, (1R-cis) AC1O7FZG MLS001056780 Tocris-1701 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)isochroman-5,6-diol;hydrochloride 8PDA66H6ZI Biomol-NT_000065 cid_9951033 NCGC00025265-02 SCHEMBL1081313 (1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-5,6-diol A-77636 hydrochloride CCG-204224 Lopac-A-255 [ Show all ]
Inchi Key	QLJOSZATCBCBDR-DFKUFRTHSA-N
Inchi ID	InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
PubChem CID	6603703
ChEMBL	CHEMBL291143
IUPHAR	9637
BindingDB	50033116
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	8.2 nM	PMID9171869	BindingDB,ChEMBL
IA	102.0 %	PMID9171869	ChEMBL

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