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Ligand

NameCHEMBL520557
Molecular formulaC29H30N2O3
IUPAC name(1S,2S,15R,23R)-24-(cyclopropylmethyl)-16-oxa-13,24-diazaoctacyclo[15.9.1.15,9.01,15.02,23.04,14.021,27.013,28]octacosa-4(14),5,7,9(28),17,19,21(27)-heptaene-2,18-diol
Molecular weight454.57
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.6
Synonyms(4bS,8R,8aS,16bR)-7-(cyclopropylmethyl)-5,6,7,8,8a,9,13,14,15,16b-decahydro-4,8-methanobenzofuro[2,3-a]dipyrido[4,3-b:3'',2'',1''-jk]carbazole-1,8a-diol
BDBM50244419
(5R,9R,13S,14S)-17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'',6''-dihydro-4''H-pyrrolo[3,2,1-ij]quinolino[2'',1'':6,7]morphinan-3,14-diol
Inchi KeyBANOAHCDQRCVAB-KZNIJNHCSA-N
Inchi IDInChI=1S/C29H30N2O3/c32-21-9-8-18-13-22-29(33)14-20-19-5-1-3-17-4-2-11-31(24(17)19)25(20)27-28(29,23(18)26(21)34-27)10-12-30(22)15-16-6-7-16/h1,3,5,8-9,16,22,27,32-33H,2,4,6-7,10-15H2/t22-,27+,28+,29-/m1/s1
PubChem CID24949683
ChEMBLCHEMBL520557
IUPHARN/A
BindingDB50244419
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
19005Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
19006Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
19002Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
19003Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
19004Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
18999Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
19000Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
19001Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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