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

NameCHEMBL105743
Molecular formulaC20H22N4O
IUPAC nameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight334.423
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
Synonyms5-(N-[benzoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
BDBM50130445
DNVFWFHVRZWNQC-UHFFFAOYSA-N
N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
SCHEMBL7008481
Inchi KeyDNVFWFHVRZWNQC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O/c1-24-11-9-14(10-12-24)16-13-21-17-7-8-18(22-19(16)17)23-20(25)15-5-3-2-4-6-15/h2-8,13-14,21H,9-12H2,1H3,(H,22,23,25)
PubChem CID11067619
ChEMBLCHEMBL105743
IUPHARN/A
BindingDB50130445
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
646955-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
646945-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
646925-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
646935-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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