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

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

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2381177
Molecular formulaC30H37N3O4
IUPAC name3-hydroxy-N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-4-(3-methylphenoxy)benzamide
Molecular weight503.643
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.8
SynonymsN/A
Inchi KeyAAFKOXZJMUODRO-WXVAWEFUSA-N
Inchi IDInChI=1S/C30H37N3O4/c1-20(2)27(19-32-13-14-33(22(4)18-32)24-8-6-9-25(34)17-24)31-30(36)23-11-12-29(28(35)16-23)37-26-10-5-7-21(3)15-26/h5-12,15-17,20,22,27,34-35H,13-14,18-19H2,1-4H3,(H,31,36)/t22-,27+/m0/s1
PubChem CID71681353
ChEMBLCHEMBL2381177
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
169Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
168Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
167Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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