Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

Namenaltrexone
Molecular formulaC20H23NO4
IUPAC name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight341.407
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsVivitrol (TN)
DSSTox_CID_26313
HMS2089O11
MolPort-004-920-221
Naltrexon
[ Show all ]
Inchi KeyDQCKKXVULJGBQN-XFWGSAIBSA-N
Inchi IDInChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PubChem CID5360515
ChEMBLCHEMBL19019
IUPHAR1639
BindingDB50000787, 60212
DrugBankDB00704

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66182Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
66185Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
66189Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
459824Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
66179Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
66181Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
66186Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
66188Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
66180Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
66183Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
66184Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
66187Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
66190Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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