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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	D(2) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd2
Synonym	D2 receptor D2(415) and D₂₍₄₄₄₎ D2A and D_2B D2R Dopamine D2 receptor dopamine receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProt	P61169
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	CHEMBL339
IUPHAR	215
DrugBank	N/A

Ligand

Name	CHEMBL11388
Molecular formula	C16H23NO
IUPAC name	(3aS,9aR)-5-methoxy-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
Molecular weight	245.366
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.6
Synonyms	BDBM50034324 SCHEMBL7499477 (3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole (3aS,9aR)-5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole 2,3,3abeta,4,9,9aalpha-Hexahydro-5-methoxy-1-propyl-1H-benz[f]indole [ Show all ]
Inchi Key	HDCVYYTWHHFQGS-UKRRQHHQSA-N
Inchi ID	InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
PubChem CID	10377224
ChEMBL	CHEMBL11388
IUPHAR	N/A
BindingDB	50034324
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<1000.0 nM	PMID8097538	BindingDB,ChEMBL
Inhibition	>50.0 %	PMID8496900	ChEMBL
Ki	877.0 nM	PMID8097538	BindingDB,ChEMBL

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