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Ligand

NameCHEMBL2370599
Molecular formulaC20H32N4O5
IUPAC name(2S)-2-amino-N-[(2R)-3-hydroxy-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight408.499
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP0.4
SynonymsBDBM50018722
2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-2-hydroxy-ethyl)-3-(4-hydroxy-phenyl)-propionamide
Inchi KeyASQQCHZPNVTTRH-ZMKYACIDSA-N
Inchi IDInChI=1S/C20H32N4O5/c1-12(2)8-13(3)23-18(27)10-22-20(29)17(11-25)24-19(28)16(21)9-14-4-6-15(26)7-5-14/h4-7,12-13,16-17,25-26H,8-11,21H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)/t13?,16-,17+/m0/s1
PubChem CID14019899
ChEMBLCHEMBL2370599
IUPHARN/A
BindingDB50018722
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13437Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
13435Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
13436Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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