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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Skf-82958
Molecular formula	C19H20ClNO2
IUPAC name	9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight	329.824
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.9
Synonyms	1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)- 6-Chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Biomol-NT_000069 CS-4594 NCGC00015186-03 SK&F 82958 ( inverted exclamation markA)-SKF 82958;Chloro-APB 3-allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol AC1L1B02 CCG-204486 HY-10435 NCGC00162140-02 SKF 82958 (+/-)-SKF-82958 hydrobromide BCP15774 CHEMBL35354 LS-27998 RS(+/-)-6-Cl-APB3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol 1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)- 80751-65-1 BPBio1_001362 CTK5E8087 NCGC00015186-04 SK&F-82958 (+/-)-chloro-apb hydrobromide ((+/-)-skf -82958 hbr) 3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide(Cl-APB) AC1Q3LHJ CHEBI:111172 L000995 PDSP1_001515 SKF-82,958 6-chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)-1h-3-benzazepine-7,8-diol BDBM50004917 Cl-Apb NCGC00015186-02 SCHEMBL4388800 3-allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol BRD-A04438777-001-01-4 FT-0650598 NCGC00162140-01 SK-82958 (+/-)-SKF -82958 HBr 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol AKOS030526181 Lopac0_000392 PDSP2_001499 [ Show all ]
Inchi Key	HJWHHQIVUHOBQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
PubChem CID	1225
ChEMBL	CHEMBL35354
IUPHAR	N/A
BindingDB	50004917
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	336.0 nM	PMID1533424	BindingDB,ChEMBL
Ki	264.0 nM	PMID12921854	BindingDB

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