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Ligand

NameCHEMBL294982
Molecular formulaC30H40N6O8
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight612.684
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP-3.4
SynonymsBDBM50009189
3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-(1-carbamoyl-2-methyl-propyl)-succinamic acid
Inchi KeyAZBYBIVLEPNUQU-YXAWXADKSA-N
Inchi IDInChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
PubChem CID44290468
ChEMBLCHEMBL294982
IUPHARN/A
BindingDB50009189
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
18008Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
18009Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
18006Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
18007Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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