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Ligand

NameCHEMBL303301
Molecular formulaC27H34N2O3
IUPAC name(2S,9R)-5-butyl-18-(cyclopropylmethyl)-6-methyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol
Molecular weight434.58
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.6
Synonyms5-butyl-18-cyclopropylmethyl-6-methyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol
BDBM50058657
Inchi KeyBTCOKWCUDKSNMX-NNMXSAHVSA-N
Inchi IDInChI=1S/C27H34N2O3/c1-3-4-5-18-15(2)28-23-19(18)13-27(31)21-12-17-8-9-20(30)24-22(17)26(27,25(23)32-24)10-11-29(21)14-16-6-7-16/h8-9,16,21,25,28,30-31H,3-7,10-14H2,1-2H3/t21?,25-,26?,27+/m0/s1
PubChem CID44302610
ChEMBLCHEMBL303301
IUPHARN/A
BindingDB50058657
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32219Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
32220Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
32221Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
32222Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
32224Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
32223Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
32225Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
32226Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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