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

NameCHEMBL3353469
Molecular formulaC25H30ClN3O3
IUPAC nameN-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methyl-N-[2-(methylamino)-2-oxoethyl]azetidine-2-carboxamide
Molecular weight455.983
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsSCHEMBL11954537
HDCSJRCBTWALPL-UHFFFAOYSA-N
BDBM50032320
1-[2-(3,5-dimethyl-phenyl)-acetyl]-2-methyl-azetidine-2-carboxylic acid (4-chloro-benzyl)-methylcarbamoylmethyl-amide
Inchi KeyHDCSJRCBTWALPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30ClN3O3/c1-17-11-18(2)13-20(12-17)14-23(31)29-10-9-25(29,3)24(32)28(16-22(30)27-4)15-19-5-7-21(26)8-6-19/h5-8,11-13H,9-10,14-16H2,1-4H3,(H,27,30)
PubChem CID68176095
ChEMBLCHEMBL3353469
IUPHARN/A
BindingDB50032320
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
446111Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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