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Ligand

NameCHEMBL397580
Molecular formulaC31H40Cl2FN5O3
IUPAC name3-amino-N-[(1S)-1-[2-[4-[(2R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperazin-1-yl]-3-fluorophenyl]-3-methylbutyl]propanamide
Molecular weight620.591
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50221125
3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-3-fluorophenyl)-3-methylbutyl)propanamide
Inchi KeyAVPONLNZIPJOOI-RRPNLBNLSA-N
Inchi IDInChI=1S/C31H40Cl2FN5O3/c1-20(2)17-26(36-28(40)10-11-35)23-5-3-6-25(34)30(23)37-13-15-38(16-14-37)31(42)27(39-12-4-7-29(39)41)18-21-8-9-22(32)19-24(21)33/h3,5-6,8-9,19-20,26-27H,4,7,10-18,35H2,1-2H3,(H,36,40)/t26-,27+/m0/s1
PubChem CID44433294
ChEMBLCHEMBL397580
IUPHARN/A
BindingDB50221125
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15527Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
15528Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
15526Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
15529Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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