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Ligand

NameCHEMBL1923663
Molecular formulaC44H54N12O6
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-acetamido-4-phenylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight846.994
Hydrogen bond acceptor8
Hydrogen bond donor10
XlogP1.7
SynonymsBDBM50358560
Inchi KeyANGMCMXZFGHVPX-AKHKZFQHSA-N
Inchi IDInChI=1S/C44H54N12O6/c1-27(57)52-35(19-18-28-11-4-2-5-12-28)41(60)56-38(23-31-25-48-26-51-31)43(62)55-37(21-29-13-6-3-7-14-29)42(61)53-34(17-10-20-49-44(46)47)40(59)54-36(39(45)58)22-30-24-50-33-16-9-8-15-32(30)33/h2-9,11-16,24-26,34-38,50H,10,17-23H2,1H3,(H2,45,58)(H,48,51)(H,52,57)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,49)/t34-,35-,36-,37+,38-/m0/s1
PubChem CID56850936
ChEMBLCHEMBL1923663
IUPHARN/A
BindingDB50358560
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9539Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
9538Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
9537Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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