Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL593613
Molecular formulaC21H26N4O
IUPAC name3-[2-(4-tert-butylphenyl)-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]phenol
Molecular weight350.466
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL14205947
BDBM50304076
3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
Inchi KeyAFYXROWBOMSTBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N4O/c1-21(2,3)16-9-11-17(12-10-16)25-20(15-7-6-8-18(26)13-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
PubChem CID25000426
ChEMBLCHEMBL593613
IUPHARN/A
BindingDB50304076
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
4640Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
4643Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
4641Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
4642Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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