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Ligand

NameCHEMBL344489
Molecular formulaC34H43N9O5
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-amino-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide
Molecular weight657.776
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP0.7
SynonymsBDBM50082007
(S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-6-amino-hexanoic acid [(R)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
Inchi KeyATEVNLOMRGILER-KJHMZRPRSA-N
Inchi IDInChI=1S/C34H43N9O5/c1-21(44)40-30(17-24-19-37-20-39-24)34(48)43-29(15-22-9-3-2-4-10-22)33(47)41-27(13-7-8-14-35)32(46)42-28(31(36)45)16-23-18-38-26-12-6-5-11-25(23)26/h2-6,9-12,18-20,27-30,38H,7-8,13-17,35H2,1H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28+,29+,30-/m0/s1
PubChem CID44358100
ChEMBLCHEMBL344489
IUPHARN/A
BindingDB50082007
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13886Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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