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Ligand

NameCHEMBL378837
Molecular formulaC31H38FN7O3
IUPAC name(2S)-2-[(3S)-4-[(2R)-2-amino-3-(4-fluorophenyl)propanoyl]-3-[3-(diaminomethylideneamino)propyl]-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
Molecular weight575.689
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.0
SynonymsBDBM50189019
(S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propanoyl)-3-(3-guanidinopropyl)-2-oxopiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide
Inchi KeyBACKPKKWDGBCRT-PVHODMMVSA-N
Inchi IDInChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
PubChem CID44415912
ChEMBLCHEMBL378837
IUPHARN/A
BindingDB50189019
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18721Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
18723Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
18722Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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