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Ligand

NameCHEMBL2370862
Molecular formulaC61H75N15O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
Molecular weight1146.37
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP3.8
SynonymsBDBM50453525
Inchi KeyDBWIMEUEBZNHOJ-PFUHGEEXSA-N
Inchi IDInChI=1S/C61H75N15O8/c1-35(2)53(60(83)71-36(3)55(78)74-52(28-44-31-65-34-69-44)61(84)76-22-12-17-45(76)32-67-49(54(63)77)25-38-13-6-5-7-14-38)75-56(79)37(4)70-58(81)50(26-42-29-66-48-19-11-10-18-46(42)48)73-59(82)51(27-43-30-64-33-68-43)72-57(80)47(62)24-39-20-21-40-15-8-9-16-41(40)23-39/h5-11,13-16,18-21,23,29-31,33-37,45,47,49-53,66-67H,12,17,22,24-28,32,62H2,1-4H3,(H2,63,77)(H,64,68)(H,65,69)(H,70,81)(H,71,83)(H,72,80)(H,73,82)(H,74,78)(H,75,79)/t36-,37+,45-,47+,49+,50+,51+,52+,53+/m1/s1
PubChem CID73347038
ChEMBLCHEMBL2370862
IUPHARN/A
BindingDB50453525
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56073Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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