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Ligand

NameCHEMBL3759981
Molecular formulaC43H51N7O7
IUPAC name(2R,5S,8S,16R)-16-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-benzyl-2-(naphthalen-2-ylmethyl)-3,6,10,17-tetraoxo-1,4,7,11-tetrazacycloheptadecane-8-carboxamide
Molecular weight777.923
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP3.4
SynonymsBDBM50143181
Inchi KeyADGBJGBZINGZOT-DUQWPARQSA-N
Inchi IDInChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)36(21-27-10-4-3-5-11-27)50-43(57)37(49-41(34)55)22-28-15-16-29-12-6-7-13-30(29)20-28/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
PubChem CID127026455
ChEMBLCHEMBL3759981
IUPHARN/A
BindingDB50143181
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
521516Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
521512Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
521515Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
521513Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
521514Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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