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Ligand

NameCHEMBL2371833
Molecular formulaC44H65N13O8
IUPAC name(2S)-2-[[2-[[2-[[2-[acetyl(butyl)amino]acetyl]amino]acetyl]-(4-aminobutyl)amino]acetyl]amino]-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-[3-(diaminomethylideneamino)propyl]-3-phenylpropanamide
Molecular weight904.087
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-1.2
SynonymsCHEMBL190657
BDBM50410250
Inchi KeyBKCCPXJADVBUPG-ZPGRZCPFSA-N
Inchi IDInChI=1S/C44H65N13O8/c1-3-4-19-55(30(2)58)27-38(60)51-26-41(63)56(20-11-10-17-45)28-39(61)54-36(22-31-13-6-5-7-14-31)43(65)57(21-12-18-49-44(47)48)29-40(62)53-35(42(64)52-25-37(46)59)23-32-24-50-34-16-9-8-15-33(32)34/h5-9,13-16,24,35-36,50H,3-4,10-12,17-23,25-29,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,64)(H,53,62)(H,54,61)(H4,47,48,49)/t35-,36-/m0/s1
PubChem CID73353187
ChEMBLCHEMBL2371833
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25651Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
25652Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325

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