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

You can:

Ligand

NameCHEMBL2164835
Molecular formulaC23H27ClN4O3
IUPAC nameN-[6-chloro-3-(4-methoxyphenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
Molecular weight442.944
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50395773
Inchi KeyAWHFSCLBUGXRCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27ClN4O3/c1-15-12-18-20(13-19(15)24)25-22(30)23(18,16-4-6-17(31-3)7-5-16)26-21(29)14-28-10-8-27(2)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,25,30)(H,26,29)
PubChem CID71455106
ChEMBLCHEMBL2164835
IUPHARN/A
BindingDB50395773
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
16016Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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