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Ligand

NameCHEMBL3421680
Molecular formulaC34H42N12O5
IUPAC name(2S)-2-[[(2R)-2-[(7S)-7-acetamido-6-oxo-7,8-dihydro-4H-triazolo[1,5-a][1,4]diazepin-5-yl]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight698.789
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-0.9
SynonymsBDBM50080878
Inchi KeyBVHVEJVRGYHQTC-XFTNXAEASA-N
Inchi IDInChI=1S/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/m0/s1
PubChem CID118735103
ChEMBLCHEMBL3421680
IUPHARN/A
BindingDB50080878
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442970Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
442971Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
442972Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
442973Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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