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Ligand

NameCHEMBL3823054
Molecular formulaC33H51N9O5
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,3,6-trimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular weight653.829
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP0.4
SynonymsBDBM50185755
Inchi KeyASZIDYXNKKAYAC-NFGXINMFSA-N
Inchi IDInChI=1S/C33H51N9O5/c1-19-16-28(43)21(3)20(2)23(19)18-24(35)30(45)41-26(13-9-15-39-33(37)38)31(46)42-27(17-22-10-5-4-6-11-22)32(47)40-25(29(36)44)12-7-8-14-34/h4-6,10-11,16,24-27,43H,7-9,12-15,17-18,34-35H2,1-3H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t24-,25-,26+,27-/m0/s1
PubChem CID127050727
ChEMBLCHEMBL3823054
IUPHARN/A
BindingDB50185755
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521857Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
521859Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
521856Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
521855Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
521858Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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