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Ligand

NameCHEMBL278889
Molecular formulaC33H38N6O6
IUPAC name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(3R,6R,14S)-3-(naphthalen-2-ylmethyl)-2,5,10,13-tetraoxo-1,4,9,12-tetrazabicyclo[12.3.0]heptadecan-6-yl]propanamide
Molecular weight614.703
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.8
SynonymsBDBM50041149
(S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5R,8R,15aS)-5-naphthalen-2-ylmethyl-4,7,12,15-tetraoxo-tetradecahydro-3a,6,11,14-tetraaza-cyclopentacyclotetradecen-8-yl)-propionamide
Inchi KeyAKLNDWRVJOAYFT-HFLBTKGNSA-N
Inchi IDInChI=1S/C33H38N6O6/c34-25(17-20-8-11-24(40)12-9-20)30(42)37-26-13-14-35-29(41)19-36-32(44)28-6-3-15-39(28)33(45)27(38-31(26)43)18-21-7-10-22-4-1-2-5-23(22)16-21/h1-2,4-5,7-12,16,25-28,40H,3,6,13-15,17-19,34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43)/t25-,26+,27+,28-/m0/s1
PubChem CID44269828
ChEMBLCHEMBL278889
IUPHARN/A
BindingDB50041149
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7664Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
7667Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
7665Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
7666Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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