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

NameCHEMBL317269
Molecular formulaC23H31NO4
IUPAC name(10S)-17-(cyclopropylmethyl)-10-ethoxy-4-hydroxy-3-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Molecular weight385.504
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50032527
17-cyclopropylmethyl-10-ethoxy-4-hydroxy-3-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Inchi KeyAEDDGWOMKKVLRS-ZUEZHPSSSA-N
Inchi IDInChI=1S/C23H31NO4/c1-3-28-23-9-8-17(25)13-22(23)10-11-24(14-15-4-5-15)19(23)12-16-6-7-18(26)21(27-2)20(16)22/h6-7,15,19,26H,3-5,8-14H2,1-2H3/t19?,22?,23-/m1/s1
PubChem CID44334636
ChEMBLCHEMBL317269
IUPHARN/A
BindingDB50032527
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3354Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
3357Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
3355Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
3358Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
3353Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
3356Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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