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Ligand

NameAC1MHY5M
Molecular formulaC26H26N2O3
IUPAC name(21S)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight414.505
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.3
Synonyms(21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
(8R)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol
BDBM21864
Inchi KeyWIYUZYBFCWCCQJ-XEWUMVRVSA-N
Inchi IDInChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
PubChem CID3034754
ChEMBLN/A
IUPHARN/A
BindingDB21864
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: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
374609Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
374611Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
374612Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
462428Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
374606Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
374608Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
374613Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
374616Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
374607Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
374610Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
374615Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
374617Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
374614Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328
374618Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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