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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL104384
Molecular formulaC20H21FN4O
IUPAC name2-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight352.413
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
Synonyms2-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
5-(N-[2-fluorobenzoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
BDBM50130430
HUIKYZOZYAWSKD-UHFFFAOYSA-N
SCHEMBL7006550
Inchi KeyHUIKYZOZYAWSKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21FN4O/c1-25-10-8-13(9-11-25)15-12-22-17-6-7-18(23-19(15)17)24-20(26)14-4-2-3-5-16(14)21/h2-7,12-13,22H,8-11H2,1H3,(H,23,24,26)
PubChem CID11121708
ChEMBLCHEMBL104384
IUPHARN/A
BindingDB50130430
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1243225-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1243215-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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