Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL1644488
Molecular formulaC21H21ClN2
IUPAC name1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
Molecular weight336.863
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP4.4
SynonymsSCHEMBL2073973
CXFFUFSJNZALTH-UHFFFAOYSA-N
BDBM50334535
1-Benzyl-3-(4-chloro-phenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
1-benzyl-3-(4-chlorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
Inchi KeyCXFFUFSJNZALTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21ClN2/c1-23-12-11-21-20(14-23)19(17-7-9-18(22)10-8-17)15-24(21)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
PubChem CID11404955
ChEMBLCHEMBL1644488
IUPHARN/A
BindingDB50334535
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
527255-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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