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	CHEMBL70355
Molecular formula	C27H32N2O3
IUPAC name	3-[3-(dimethylamino)propyl]-N-[4-[4-(hydroxymethyl)-2-methylphenyl]phenyl]-4-methoxybenzamide
Molecular weight	432.564
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.5
Synonyms	3-[3-(Dimethylamino)propyl]-4-methoxy-N-[2'-methyl-4'-(hydroxymethyl)-1,1'-biphenyl-4-yl]benzamide SCHEMBL6497266 VNMPDHQLXRNAMA-UHFFFAOYSA-N 3-(Dimethylaminopropyl]-N-[4'-(1-hydroxymethyl)-2'-methyl[1,1'-biphenyl]-4-yl]-4-methoxybenzamide
Inchi Key	VNMPDHQLXRNAMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32N2O3/c1-19-16-20(18-30)7-13-25(19)21-8-11-24(12-9-21)28-27(31)23-10-14-26(32-4)22(17-23)6-5-15-29(2)3/h7-14,16-17,30H,5-6,15,18H2,1-4H3,(H,28,31)
PubChem CID	10002935
ChEMBL	CHEMBL70355
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
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
359593	5-hydroxytryptamine receptor 1D	Q60484	HTR1D	Cavia porcellus (Guinea pig)	376

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