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

NameCHEMBL97509
Molecular formulaC21H33NO
IUPAC name3-[(3R,4R)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight315.501
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.2
Synonyms3-[1-(2-Cyclohexyl-ethyl)-3,4-dimethyl-piperidin-4-yl]-phenol
3-[(3R,4R)-1-(2-Cyclohexylethyl)-3,4-dimethyl-4-piperidinyl]phenol
BDBM50045778
ZINC13833041
Inchi KeyBJKXRIMJMHAGSP-LAUBAEHRSA-N
Inchi IDInChI=1S/C21H33NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h6,9-10,15,17-18,23H,3-5,7-8,11-14,16H2,1-2H3/t17-,21+/m0/s1
PubChem CID9884847
ChEMBLCHEMBL97509
IUPHARN/A
BindingDB50045778
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25229Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
25231Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
25233Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
25230Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
25232Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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