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Ligand

NameCHEMBL610002
Molecular formulaC47H48N2O7
IUPAC name(1S,2S,8S,9S,13R,21R,25R,33R)-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
SynonymsN/A
Inchi KeyAKPAHSIBCCFBBS-BHVVMNDNSA-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-,42+,43+,44+,45+,46-,47-/m1/s1
PubChem CID46877614
ChEMBLCHEMBL610002
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7756Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
7761Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
7762Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7758Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
7759Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
7757Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
7760Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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