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Ligand

NameCHEMBL121946
Molecular formulaC38H54N8O10
IUPAC name(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-2-methyl-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight782.896
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-1.5
SynonymsBDBM50042760
H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-Val-Val-Gly-NH2
Inchi KeyANGDKQRQFHANRW-YENVRXEQSA-N
Inchi IDInChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
PubChem CID44348542
ChEMBLCHEMBL121946
IUPHARN/A
BindingDB50042760
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9526Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
9527Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
9525Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
9528Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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