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Ligand

NameCHEMBL1689540
Molecular formulaC37H44N6O5
IUPAC name(1S,2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2R,3R)-1-amino-1-oxo-3-phenylbutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
Molecular weight652.796
Hydrogen bond acceptor6
Hydrogen bond donor7
XlogP4.3
SynonymsBDBM50339234
(1S,2R)-N-((S)-1-((2R,3R)-1-amino-1-oxo-3-phenylbutan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)cyclohexanecarboxamide
Inchi KeyBHRXNCNPQWWEGY-NZLLLSFESA-N
Inchi IDInChI=1S/C37H44N6O5/c1-22(24-9-3-2-4-10-24)33(34(39)45)43-37(48)32(20-25-21-40-30-13-7-5-11-27(25)30)42-35(46)28-12-6-8-14-31(28)41-36(47)29(38)19-23-15-17-26(44)18-16-23/h2-5,7,9-11,13,15-18,21-22,28-29,31-33,40,44H,6,8,12,14,19-20,38H2,1H3,(H2,39,45)(H,41,47)(H,42,46)(H,43,48)/t22-,28+,29+,31-,32+,33-/m1/s1
PubChem CID51350284
ChEMBLCHEMBL1689540
IUPHARN/A
BindingDB50339234
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24007Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
24006Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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