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Ligand

NameCHEMBL3352878
Molecular formulaC50H71N17O8
IUPAC name(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-azido-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
Molecular weight1038.23
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP3.0
SynonymsBDBM50031489
Inchi KeyFAONKRMCZFSASU-PCYFNTAWSA-N
Inchi IDInChI=1S/C50H71N17O8/c1-4-6-17-37(60-30(3)68)44(70)62-38(18-7-5-2)45(71)66-42(26-33-28-55-29-58-33)49(75)64-40(24-31-14-9-8-10-15-31)47(73)63-39(20-13-22-56-50(52)53)46(72)65-41(25-32-27-57-35-19-12-11-16-34(32)35)48(74)61-36(43(51)69)21-23-59-67-54/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H,64,75)(H,65,72)(H,66,71)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/m0/s1
PubChem CID118722932
ChEMBLCHEMBL3352878
IUPHARN/A
BindingDB50031489
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444619Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
444618Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
444621Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
444620Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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