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	CHEMBL176678
Molecular formula	C30H31FN6O2
IUPAC name	6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide
Molecular weight	526.616
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50062097 SCHEMBL7497046 6-(4-Fluoro-phenyl)-3-(2-{methyl-[3-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-propyl]-amino}-acetyl)-indole-1-carboxylic acid dimethylamide
Inchi Key	DXPVOWOBYAJNOR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H31FN6O2/c1-20-33-26-17-32-13-12-27(26)36(20)15-5-14-35(4)19-29(38)25-18-37(30(39)34(2)3)28-16-22(8-11-24(25)28)21-6-9-23(31)10-7-21/h6-13,16-18H,5,14-15,19H2,1-4H3
PubChem CID	10625951
ChEMBL	CHEMBL176678
IUPHAR	N/A
BindingDB	50062097
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
71524	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341
71525	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342

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