Zhang Lab

National University of Singapore

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 ●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(1) dopamine receptor
Species	Carassius auratus (Goldfish)
Gene
Synonym	Dopamine D1 receptor
Disease	N/A for non-human GPCRs
Length	363
Amino acid sequence	MAVLDLNLTTVIDSGFMESDRSVRVLTGCFLSVLILSTLLGNTLVCAAVTKFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVTEVAGFWPFGAFCDIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPRVAFVMISGAWTLSVLISFIPVQLKWHKAQPIGFLEVNASRRDLPTDNCDSSLNRTYAISSSLISFYIPVAIMIVTYTQIYRIAQKQIRRISALERAAESAQIRHDSMGSGSNMDLESSFKLSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCKRTSNGLPCISPTTFDVFVWFGWANSSLNPIIYAFNADFRRAFAILLGCQRLCPGSISMETPSLNKN
UniProt	P35406
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	CHEMBL2368
IUPHAR	N/A
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	CCG-204474 IP-202 trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine 5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol CHEMBL25856 NCGC00015354-01 ZINC25758512 (6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol BDBM50010686 Biomol-NT_000033 Dihydrexidine hydrochloride Rel-Dihydrexidine 10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium(DHX) CHEBI:124993 Lopac-D-5814 UNII-32D64VH037 component BGOQGUHWXBGXJW-RHSMWYFYSA-N (+)-Dihydrexidine DAR-0100 NCGC00024845-04 (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)- BPBio1_001227 Dihydrexidine, (+)- SCHEMBL4614575 174691-84-0 Lopac0_000380 UNII-Q3PJ4B4D0X (6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium AC1O7G2G Benzo(a)phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6ar-trans)- Q3PJ4B4D0X (6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol [ 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	88.0 nM	PMID9171869	BindingDB,ChEMBL
IA	130.0 %	PMID9171869	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417