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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	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	(1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-5,6-diol A-77636 hydrochloride CCG-204224 Lopac-A-255 SCHEMBL1081313 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride BDBM50033116 CHEMBL291143 NCGC00015025-01 SR-01000778309 UNII-8PDA66H6ZI (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol BPBio1_001355 DTXSID1043887 NCGC00025265-03 (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 SCHEMBL17265599 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)isochroman-5,6-diol 778546-51-3 BDBM65550 cid_6603703 NCGC00025265-01 SR-01000778309-2 ZINC3782517 (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol BRD-K24396733-001-01-1 GTPL9637 NCGC00025265-04 (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 SMR000326988 Tocris-1701 (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)isochroman-5,6-diol;hydrochloride 8PDA66H6ZI Biomol-NT_000065 cid_9951033 NCGC00025265-02 [ 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	5.1 nM	PMID8568818	BindingDB,ChEMBL
K0.5	31.7 nM	PMID8568818	ChEMBL
Ki	30.0 nM	PMID9171869	BindingDB,ChEMBL

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