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Ligand

NameCHEMBL560511
Molecular formulaC29H41NO4
IUPAC name(1S,2S,6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Molecular weight467.65
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
SynonymsBuprenorphine(+)
Buprenorphine(-)
SCHEMBL13787498
2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol
BDBM50028147
[ Show all ]
Inchi KeyRMRJXGBAOAMLHD-AGMYMXDYSA-N
Inchi IDInChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26-,27-,28+,29+/m1/s1
PubChem CID9811785
ChEMBLN/A
IUPHARN/A
BindingDB50028147
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
299985Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
299986Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
461784Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
299980Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
299983Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
299984Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
299981Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
299982Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
556653Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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