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

NameCHEMBL3899312
Molecular formulaC29H39N3O6
IUPAC name(2R)-2-acetamido-N-[[(1R,2R,6S,14S,15S,16S)-5-(cyclopropylmethyl)-11-hydroxy-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]methyl]-3-hydroxypropanamide
Molecular weight525.646
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.7
SynonymsN/A
Inchi KeyABXSDMRQPSIMCL-WCVNPTRVSA-N
Inchi IDInChI=1S/C29H39N3O6/c1-16(34)31-20(15-33)25(36)30-13-19-12-27-7-8-29(19,37-2)26-28(27)9-10-32(14-17-3-4-17)22(27)11-18-5-6-21(35)24(38-26)23(18)28/h5-6,17,19-20,22,26,33,35H,3-4,7-15H2,1-2H3,(H,30,36)(H,31,34)/t19-,20+,22-,26-,27-,28+,29-/m0/s1
PubChem CID134134270
ChEMBLCHEMBL3899312
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
547914Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
547915Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
547913Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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