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

NameCHEMBL3589710
Molecular formulaC26H32N4O
IUPAC name4-[[(5S,8S,11S)-8-benzyl-11-propan-2-yl-4,7,10,13-tetrazatricyclo[8.3.0.03,7]trideca-1(13),2-dien-5-yl]methyl]phenol
Molecular weight416.569
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50094769
Inchi KeyAWUVNSPAQOHJHW-WPFOTENUSA-N
Inchi IDInChI=1S/C26H32N4O/c1-18(2)24-15-27-25-14-26-28-21(12-20-8-10-23(31)11-9-20)16-29(26)22(17-30(24)25)13-19-6-4-3-5-7-19/h3-11,14,18,21-22,24,28,31H,12-13,15-17H2,1-2H3/t21-,22-,24+/m0/s1
PubChem CID122181057
ChEMBLCHEMBL3589710
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464905Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
464904Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
464906Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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