Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL1281
Molecular formulaC17H21NO3
IUPAC name(4R,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight287.359
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.8
SynonymsSCHEMBL12402795
BDBM50021325
4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,14-diol(DHM)
Inchi KeyIJVCSMSMFSCRME-OONJBDFYSA-N
Inchi IDInChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1
PubChem CID25126776
ChEMBLN/A
IUPHARN/A
BindingDB50021325
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
134990Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
134992Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
460448Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
134989Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
134991Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
134986Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401
134987Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
134988Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
556003Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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