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Ligand

NameBDBM85541
Molecular formulaC28H35NO4
IUPAC name(1R,2S,6R,14R,19R)-5-(cyclopropylmethyl)-15-methoxy-18,18-dimethyl-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 weight449.591
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsBU 95
BU-95
Inchi KeyBANTYRLFVMBWRP-OXVLGACKSA-N
Inchi IDInChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
PubChem CID57340166
ChEMBLN/A
IUPHARN/A
BindingDB85541
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19013Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
19014Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
19012Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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