Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●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 ●TCRfinder

●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 ●DeepMSA2 ●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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	DIHYDREXIDINE
Molecular formula	C17H17NO2
IUPAC name	(6aS,12bR)-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	Benzo(a)phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6aR,12bS)-rel- DB12890 ZINC26746094 (6aS,12bR)-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-, trans- GTPL9267 126295-91-8 DAR0100A UNII-32D64VH037 component BGOQGUHWXBGXJW-YOEHRIQHSA-N (-)-Dihydrexidine Benzo(a)phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6aS,12bR)- 10,11-Dihydroxyhexahydrobenzo(a)phenanthridine 5,6,6aalpha,7,8,12bbeta-Hexahydrobenzo[a]phenanthridine-10,11-diol DAR 0100A SCHEMBL14495053 AC1NSJXW UNII-U4MPC92UC2 (6aS,12bR)-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-, (6as-trans)- Dihydrexidine, (-)- 123039-93-0 757161-85-6 DAR-0100A U4MPC92UC2 [ Show all ]
Inchi Key	BGOQGUHWXBGXJW-YOEHRIQHSA-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-/m0/s1
PubChem CID	5311070
ChEMBL	N/A
IUPHAR	9267
BindingDB	N/A
DrugBank	DB12890
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
548151	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
553360	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446

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