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:

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	CHEMBL35869
Molecular formula	C24H30N2O6
IUPAC name	(E)-N-methoxy-1-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanimine;oxalic acid
Molecular weight	442.512
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	None
Synonyms	N/A
Inchi Key	BMSRGMVSRAZTFD-XHMOQMQQSA-N
Inchi ID	InChI=1S/C22H28N2O2.C2H2O4/c1-18(23-25-2)21-10-12-22(13-11-21)26-17-20-8-6-19(7-9-20)16-24-14-4-3-5-15-24;3-1(4)2(5)6/h6-13H,3-5,14-17H2,1-2H3;(H,3,4)(H,5,6)/b23-18+;
PubChem CID	44284969
ChEMBL	CHEMBL35869
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

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
27738	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
27737	Histamine H2 receptor	P47747	HRH2	Cavia porcellus (Guinea pig)	359
27736	Histamine H3 receptor	Q9JI35	HRH3	Cavia porcellus (Guinea pig)	445
27739	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
27740	Histamine H3 receptor	P58406	Hrh3	Mus musculus (Mouse)	445

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