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 DMFold 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

NameBU-47
Molecular formulaC26H31NO4
IUPAC name(1R,2S,6R,14R,19S)-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraene-11,19-diol
Molecular weight421.537
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM85539
BU 47
Inchi KeyDKJLFLVTHYALFV-ADFNVXPWSA-N
Inchi IDInChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19+,21?,23+,24+,25-,26?/m0/s1
PubChem CID57340164
ChEMBLN/A
IUPHARN/A
BindingDB85539
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
62337Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
62336Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
62335Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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