Zhang Lab

University of Michigan

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 ●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

●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	CHEMBL173104
Molecular formula	C26H22FN5O2
IUPAC name	6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide
Molecular weight	455.493
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	6-(4-Fluoro-phenyl)-3-[2-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-acetyl]-indole-1-carboxylic acid dimethylamide BDBM50062080 SCHEMBL7492384
Inchi Key	GYPDWEMMDNUGPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H22FN5O2/c1-16-29-22-13-28-11-10-23(22)31(16)15-25(33)21-14-32(26(34)30(2)3)24-12-18(6-9-20(21)24)17-4-7-19(27)8-5-17/h4-14H,15H2,1-3H3
PubChem CID	10551722
ChEMBL	CHEMBL173104
IUPHAR	N/A
BindingDB	50062080
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
108489	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
108490	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218