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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(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	CHEMBL26118
Molecular formula	C16H21NO
IUPAC name	(3aR,9bS)-9-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
Molecular weight	243.35
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.2
Synonyms	(3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole (Recemic) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole BDBM50034330 SCHEMBL8901030 (3aR,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole 2,3,3abeta,4,5,9bbeta-Hexahydro-3-allyl-9-methoxy-1H-benz[e]indole (3aS,9bR) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole [ Show all ]
Inchi Key	VRRJFCMGNMFNOE-ZIAGYGMSSA-N
Inchi ID	InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1
PubChem CID	10105844
ChEMBL	CHEMBL26118
IUPHAR	N/A
BindingDB	50034330
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	PMID8097537	BindingDB,ChEMBL
Inhibition	>50.0 %	PMID8496900	ChEMBL
Ki	5.3 nM	PMID8496900	BindingDB,ChEMBL
Ki	7.0 nM	PMID8097537	BindingDB,ChEMBL
Ki	270.0 nM	PMID8496900	BindingDB,ChEMBL

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