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Ligand

NameCHEMBL188738
Molecular formulaC45H67N13O8
IUPAC name(2S)-2-[[2-[[2-[acetyl(butyl)amino]acetyl]amino]acetyl]amino]-6-amino-N-[(2R)-1-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-[3-(diaminomethylideneamino)propyl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
Molecular weight918.114
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-0.6
SynonymsBDBM50410257
Inchi KeyCUXFGPHBQAHDES-PQQNNWGCSA-N
Inchi IDInChI=1S/C45H67N13O8/c1-3-4-21-56(31(2)59)28-40(62)53-27-39(61)54-36(17-10-11-19-46)43(65)55-37(24-32-13-6-5-7-14-32)44(66)58(22-12-20-50-45(48)49)30-42(64)57(29-41(63)52-26-38(47)60)23-18-33-25-51-35-16-9-8-15-34(33)35/h5-9,13-16,25,36-37,51H,3-4,10-12,17-24,26-30,46H2,1-2H3,(H2,47,60)(H,52,63)(H,53,62)(H,54,61)(H,55,65)(H4,48,49,50)/t36-,37+/m0/s1
PubChem CID11764499
ChEMBLCHEMBL188738
IUPHARN/A
BindingDB50410257
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
51231Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
51230Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
51232Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325

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