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 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

NameCHEMBL489402
Molecular formulaC20H22Cl2N2O2
IUPAC name2-(3-chlorophenoxy)-N-(2-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
Molecular weight393.308
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
Synonyms2-(3-chlorophenoxy)-N-(2-chlorophenyl)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
BDBM50264487
Inchi KeyBETBBRQIGQOQCK-BZSJEYESSA-N
Inchi IDInChI=1S/C20H22Cl2N2O2/c1-14(26-17-8-4-6-15(21)12-17)20(25)24(13-16-7-5-11-23-16)19-10-3-2-9-18(19)22/h2-4,6,8-10,12,14,16,23H,5,7,11,13H2,1H3/t14?,16-/m1/s1
PubChem CID44579881
ChEMBLCHEMBL489402
IUPHARN/A
BindingDB50264487
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
21881Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417