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

NameMLS001177315
Molecular formulaC25H26N2O4
IUPAC nameN-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
Molecular weight418.493
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsCHEMBL1478397
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
MCULE-3525273564
ZINC8036809
BDBM97141
[ Show all ]
Inchi KeyCZYJLQYRCXIZPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N2O4/c1-27(17-21-10-7-11-22(30-2)24(21)31-3)23(28)16-26-25(29)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3,(H,26,29)
PubChem CID9166749
ChEMBLCHEMBL1478397
IUPHARN/A
BindingDB97141
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
54795Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
54797Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
54796Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
54794Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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