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Ligand

NameCHEMBL2112374
Molecular formulaC28H31N5O3
IUPAC name2-[[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]methyl]guanidine
Molecular weight485.588
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP1.7
SynonymsBDBM50027094
1-[[(4bS,8R)-1,8abeta(9H)-Dihydroxy-7-(cyclopropylmethyl)-5,6,7,8,14,14bbeta-hexahydro-4,8alpha-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-11-yl]methyl]guanidine
Inchi KeyFKUYTFLABOWAOR-NZHOUOPXSA-N
Inchi IDInChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21-,25+,27+,28-/m1/s1
PubChem CID9940052
ChEMBLCHEMBL2112374
IUPHARN/A
BindingDB50027094
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
80865Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
80866Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
80868Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
80860Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
80863Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
80864Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
80861Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
80862Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
80867Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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