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Ligand

NameCHEMBL1834250
Molecular formulaC25H29N5O5
IUPAC name(2R)-2-(4-amino-8-hydroxy-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)-N-[2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]propanamide
Molecular weight479.537
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP-0.2
SynonymsBDBM50354653
Inchi KeyACFTTXWQZSBVGL-OZJRSANCSA-N
Inchi IDInChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20?,21?/m1/s1
PubChem CID56678760
ChEMBLCHEMBL1834250
IUPHARN/A
BindingDB50354653
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1535Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
1536Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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