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Ligand

NameBDBM50009130
Molecular formulaC47H48N2O7
IUPAC name(1S,2S,8S,9S,21R,25R)-12,34-bis(cyclopropylmethyl)-5-phenyl-20,23,26-trioxa-12,34-diazaundecacyclo[25.9.1.19,15.01,25.02,33.04,24.06,22.08,13.09,21.031,37.019,38]octatriaconta-4(24),6(22),15(38),16,18,27,29,31(37)-octaene-2,8,18,28-tetrol
Molecular weight752.908
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP4.2
Synonymsbis(4-cyclopropylmethyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene-10,17-diol)4-phenyl-4H-pyran
Inchi KeyAKPAHSIBCCFBBS-SJAHWYOTSA-N
Inchi IDInChI=1S/C47H48N2O7/c50-31-12-10-27-18-33-46(52)20-29-35(26-4-2-1-3-5-26)30-21-47(53)34-19-28-11-13-32(51)41-37(28)45(47,15-17-49(34)23-25-8-9-25)43(56-41)39(30)54-38(29)42-44(46,36(27)40(31)55-42)14-16-48(33)22-24-6-7-24/h1-5,10-13,24-25,33-35,42-43,50-53H,6-9,14-23H2/t33?,34?,35?,42-,43-,44-,45-,46+,47+/m0/s1
PubChem CID14845230
ChEMBLN/A
IUPHARN/A
BindingDB50009130
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7765Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7764Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
7763Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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