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

NameCHEMBL9312
Molecular formulaC23H22N2O
IUPAC name1-(3,3-diphenylprop-2-enyl)-3-(3-methylphenyl)urea
Molecular weight342.442
Hydrogen bond acceptor1
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50005469
D0SY6T
1-(3,3-Diphenyl-allyl)-3-m-tolyl-urea
Inchi KeyAQCRRYHNTDGOLK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N2O/c1-18-9-8-14-21(17-18)25-23(26)24-16-15-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17H,16H2,1H3,(H2,24,25,26)
PubChem CID44265928
ChEMBLCHEMBL9312
IUPHARN/A
BindingDB50005469
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11570Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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