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

NameSCHEMBL14466685
Molecular formulaC27H30N4O4
IUPAC name(1R,9R,10S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
Molecular weight474.561
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM148979
US8962646, 1
Inchi KeyAHVXNGYBEDTABI-SACAOSOOSA-N
Inchi IDInChI=1S/C27H30N4O4/c1-31-13-11-26-15-17(32)8-10-27(26,35)21(31)14-16-6-7-18(24(33)23(16)26)25(34)28-12-9-22-29-19-4-2-3-5-20(19)30-22/h2-7,21,33,35H,8-15H2,1H3,(H,28,34)(H,29,30)/t21-,26-,27-/m1/s1
PubChem CID71499220
ChEMBLN/A
IUPHARN/A
BindingDB148979
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
557446Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
557447Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
557445Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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