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Ligand

NameCHEMBL3956104
Molecular formulaC30H38N4O4
IUPAC name(1S,10R,11R)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-(cyclopropylmethyl)-16-hydroxy-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carboxamide
Molecular weight518.658
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.4
SynonymsSCHEMBL15810890
Inchi KeyAKGVNGUYTQRYQL-HLNVOFQHSA-N
Inchi IDInChI=1S/C30H38N4O4/c1-16(2)9-24(27(31)36)32-28(37)21-10-19-11-23-26-12-18-5-6-20(35)13-22(18)30(23,14-25(19)33-29(21)38)7-8-34(26)15-17-3-4-17/h5-6,10,13,16-17,23-24,26,35H,3-4,7-9,11-12,14-15H2,1-2H3,(H2,31,36)(H,32,37)(H,33,38)/t23-,24-,26+,30+/m0/s1
PubChem CID90231092
ChEMBLCHEMBL3956104
IUPHARN/A
BindingDB150222
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536163Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
536164Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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