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Ligand

NameCHEMBL2163917
Molecular formulaC33H36N6O6
IUPAC name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(1S)-2-carbamoyl-1-(furan-3-yl)prop-2-enyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight612.687
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.5
SynonymsBDBM50395059
Inchi KeyAIMNNAYOYMPJBT-RDPOUHODSA-N
Inchi IDInChI=1S/C33H36N6O6/c1-19(30(35)41)29(21-12-14-45-18-21)38-31(42)27(16-22-17-36-26-6-3-2-5-24(22)26)37-32(43)28-7-4-13-39(28)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-3,5-6,8-12,14,17-18,25,27-29,36,40H,1,4,7,13,15-16,34H2,(H2,35,41)(H,37,43)(H,38,42)/t25-,27-,28-,29+/m0/s1
PubChem CID60170775
ChEMBLCHEMBL2163917
IUPHARN/A
BindingDB50395059
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
6349Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
6350Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
6347Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
6348Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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