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Ligand

NameCHEMBL385000
Molecular formulaC42H49FN8O6
IUPAC name(2S)-2-acetamido-N-[(2R)-1-[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxopiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight780.902
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP3.2
SynonymsBDBM50189024
(S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-3-(4-fluoro-phenyl)-propionyl]-3-(3-guanidino-propyl)-2-oxo-piperazin-1-yl]-N-methyl-3-naphthalen-2-yl-propionamide
Inchi KeyCBZNNNCTDMTAGU-NBRFXYHLSA-N
Inchi IDInChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1
PubChem CID44415919
ChEMBLCHEMBL385000
IUPHARN/A
BindingDB50189024
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
38378Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
38377Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
38379Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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