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

NameCHEMBL431266
Molecular formulaC22H35NO
IUPAC name3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight329.528
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.6
Synonyms3-[(3R,4R)-1-(3-Cyclohexylpropyl)-3,4-dimethyl-4-piperidinyl]phenol
3-[1-(3-Cyclohexyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol
BDBM50045785
SCHEMBL12168480
ZINC13833042
Inchi KeyDRIFNPBKGHUWAN-PGRDOPGGSA-N
Inchi IDInChI=1S/C22H35NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h6,11-12,16,18-19,24H,3-5,7-10,13-15,17H2,1-2H3/t18-,22+/m0/s1
PubChem CID10359237
ChEMBLCHEMBL431266
IUPHARN/A
BindingDB50045785
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
66994Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
66996Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
66997Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
66993Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
66995Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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