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

NameCHEMBL309162
Molecular formulaC12H16N2O
IUPAC name3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Molecular weight204.273
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.2
Synonyms2,4-Dimethyl-3-[(2-imidazoline-2-yl)methyl]phenol
BDBM50064815
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol
Inchi KeyANMXEGLLNMUMKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N2O/c1-8-3-4-11(15)9(2)10(8)7-12-13-5-6-14-12/h3-4,15H,5-7H2,1-2H3,(H,13,14)
PubChem CID10774567
ChEMBLCHEMBL309162
IUPHARN/A
BindingDB50064815
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
96995-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
97005-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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