Home Research Services Publications People Teaching Job Opening Facilities 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 BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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

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

NameCHEMBL3353497
Molecular formulaC22H21ClN2O2S
IUPAC name1-(1-benzothiophene-2-carbonyl)-N-[(4-chlorophenyl)methyl]-N,2-dimethylazetidine-2-carboxamide
Molecular weight412.932
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50032286
Inchi KeyHVMAQSLARBTRND-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21ClN2O2S/c1-22(21(27)24(2)14-15-7-9-17(23)10-8-15)11-12-25(22)20(26)19-13-16-5-3-4-6-18(16)28-19/h3-10,13H,11-12,14H2,1-2H3
PubChem CID118719616
ChEMBLCHEMBL3353497
IUPHARN/A
BindingDB50032286
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
446594Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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