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Ligand

NameCHEMBL2163461
Molecular formulaC39H52N12O6
IUPAC name2-[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]-N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazolidine-1-carboxamide
Molecular weight784.923
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP0.3
SynonymsSCHEMBL13222143
BDBM50394988
Inchi KeyAKLWZCFAFVCJDE-FAFCAGHDSA-N
Inchi IDInChI=1S/C39H52N12O6/c1-24(46-36(54)33(19-26-21-44-30-13-6-5-12-28(26)30)48-35(53)29(41)20-27-22-43-23-45-27)38(56)50-16-9-17-51(50)39(57)49-32(18-25-10-3-2-4-11-25)37(55)47-31(34(42)52)14-7-8-15-40/h2-6,10-13,21-24,29,31-33,44H,7-9,14-20,40-41H2,1H3,(H2,42,52)(H,43,45)(H,46,54)(H,47,55)(H,48,53)(H,49,57)/t24-,29-,31-,32+,33+/m0/s1
PubChem CID59446103
ChEMBLCHEMBL2163461
IUPHARN/A
BindingDB50394988
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
7672Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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