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Ligand

NameCHEMBL2429963
Molecular formulaC29H37N7O6
IUPAC name(2S)-2-[4-[(1S)-1-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-2-phenylethyl]triazol-1-yl]-4-methylpentanoic acid
Molecular weight579.658
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP-0.6
SynonymsN/A
Inchi KeyBGVPEVBAWYDRJD-LSQMVHIFSA-N
Inchi IDInChI=1S/C29H37N7O6/c1-18(2)12-25(29(41)42)36-17-24(34-35-36)23(14-19-6-4-3-5-7-19)33-27(39)16-31-26(38)15-32-28(40)22(30)13-20-8-10-21(37)11-9-20/h3-11,17-18,22-23,25,37H,12-16,30H2,1-2H3,(H,31,38)(H,32,40)(H,33,39)(H,41,42)/t22-,23-,25-/m0/s1
PubChem CID72192861
ChEMBLCHEMBL2429963
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23464Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
23465Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372

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