Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go back to previous page.

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	UNII-YZC2Y51NHJ
Molecular formula	C16H17NO2
IUPAC name	(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Molecular weight	255.317
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CHEBI:131800 SK&F-383933 (R)-SKF 38393 AC1OAA0J CHEMBL503958 SKF-38393, (R)- (1R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol hyrobromide 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, (1R)- BDBM50274530 R-(+)-Skf 38393 YZC2Y51NHJ (R)-1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol 62751-59-1 SK-383933 (+)-SKF-38393 (R)-SKF-38393 AJ-32307 CTK2B3174 UNII-R7TF327S2C component JUDKOGFHZYMDMF-CQSZACIVSA-N (1R)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol CHEBI:125624 SCHEMBL7941051 ZINC1996374 (R)-7,8-Dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium 7,8-Dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium(R(+)SKF38393) CHEMBL24077 SKF 38393 (+) (1R)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol(SKF38393) BDBM50004822 R(+)SKF 383931-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol [ Show all ]
Inchi Key	JUDKOGFHZYMDMF-CQSZACIVSA-N
Inchi ID	InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
PubChem CID	6852376
ChEMBL	CHEMBL24077
IUPHAR	N/A
BindingDB	50274530, 50004822
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	<10000.0 nM	PMID1652023	BindingDB,ChEMBL
IC50	<10000.0 nM	PMID1533424	BindingDB,ChEMBL
IC50	3750.0 nM	PMID1971308	BindingDB,ChEMBL
K0.5	1870.0 nM	PMID7608904	ChEMBL
Ki	1621.0 nM	PMID1356154	BindingDB
Ki	2900.0 nM	PMID9171869	BindingDB,ChEMBL
Ki	6865.0 nM	PMID1833546	BindingDB,ChEMBL
Ki	6870.0 nM	PMID1652023	BindingDB,ChEMBL
Ki	9300.0 nM	PMID2415793, PMID1397049	BindingDB
Ki	9560.0 nM	PMID1975644, PMID1840645	BindingDB

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218