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	DIHYDREXIDINE
Molecular formula	C17H17NO2
IUPAC name	(6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Molecular weight	267.328
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	(6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol Benzo(a)phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6ar-trans)- Q3PJ4B4D0X 5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol CCG-204474 IP-202 trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine (6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol BDBM50010686 CHEMBL25856 NCGC00015354-01 ZINC25758512 10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium(DHX) Biomol-NT_000033 Dihydrexidine hydrochloride Rel-Dihydrexidine CHEBI:124993 Lopac-D-5814 UNII-32D64VH037 component BGOQGUHWXBGXJW-RHSMWYFYSA-N (+)-Dihydrexidine (6aR,12bS)-5,6,6a,7,8,12b-Hexahydrobenzo(a)phenanthridine-10,11-diol Benzo(a)phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6aR,12bS)- DAR-0100 NCGC00024845-04 174691-84-0 BPBio1_001227 Dihydrexidine, (+)- SCHEMBL4614575 AC1O7G2G Lopac0_000380 UNII-Q3PJ4B4D0X (6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium [ Show all ]
Inchi Key	BGOQGUHWXBGXJW-RHSMWYFYSA-N
Inchi ID	InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
PubChem CID	6603820
ChEMBL	CHEMBL25856
IUPHAR	N/A
BindingDB	50010686
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	70.0 nM	PMID17154515	BindingDB,ChEMBL
IC50	87.7 nM	PMID7914538	ChEMBL
IC50	107.0 nM	PMID7830274	BindingDB,ChEMBL
IC50	120.0 nM	PMID1971308	BindingDB,ChEMBL
IC50	132.0 nM	PMID7914538	BindingDB,ChEMBL
IC50	1250.0 nM	PMID7914538	BindingDB,ChEMBL
Intrinsic activity	70.0 nM	PMID17154515	ChEMBL
K 0.5	58.1 nM	PMID10072690	ChEMBL
K 0.5	1490.0 nM	PMID10072690	ChEMBL
K0.5	29.0 nM	PMID7608904	ChEMBL
K0.5	43.2 nM	PMID8558526	ChEMBL
K0.5	43.8 nM	PMID8568818, PMID9216832	ChEMBL
K0.5	58.1 nM	PMID7636869	ChEMBL
Kd	2300.0 nM	PMID10956209	BindingDB,ChEMBL
Kd	2500.0 nM	PMID10956209	BindingDB,ChEMBL
Kd	3500.0 nM	PMID10956209	BindingDB,ChEMBL
Kd	13000.0 nM	PMID10956209	BindingDB,ChEMBL
Ki	1400.0 nM	PMID9171869	BindingDB,ChEMBL

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