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

NameCHEMBL3215911
Molecular formulaC35H39Cl2N3O4
IUPAC name(1S,2R,6R,14R,15R,16R)-17-benzyl-5-(cyclopropylmethyl)-11,15-dihydroxy-N-phenyl-13-oxa-5,17-diazahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene-16-carboxamide;dihydrochloride
Molecular weight636.614
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyAKAMZPLWYUFWFA-TYLFJNAPSA-N
Inchi IDInChI=1S/C35H37N3O4.2ClH/c39-26-14-13-24-19-27-35-16-15-34(41,32-33(35,28(24)29(26)42-32)17-18-37(27)20-23-11-12-23)30(31(40)36-25-9-5-2-6-10-25)38(35)21-22-7-3-1-4-8-22;;/h1-10,13-14,23,27,30,32,39,41H,11-12,15-21H2,(H,36,40);2*1H/t27-,30+,32-,33+,34-,35-;;/m1../s1
PubChem CID90664479
ChEMBLCHEMBL3215911
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7384Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
7383Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
7385Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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