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Ligand

NameCHEMBL341055
Molecular formulaC37H44ClN5O5S
IUPAC nameN-[2-[4-[(2S)-4-(4-benzoylpiperazin-1-yl)-2-[(4-chlorophenyl)methyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-N-(cyclopropylmethyl)methanesulfonamide
Molecular weight706.299
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.1
Synonyms(2S)-1-[4-[2-[Cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazino]-2-(4-chlorobenzyl)-4-(4-benzoylpiperazino)-1,4-butanedione
BDBM50138303
SCHEMBL4517022
(S)-4-(4-Benzoyl-piperazin-1-yl)-2-(4-chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-methanesulfonyl-ethyl)-phenyl]-piperazin-1-yl}-butane-1,4-dione
Inchi KeyAMRXDMFAGJZGHN-HKBQPEDESA-N
Inchi IDInChI=1S/C37H44ClN5O5S/c1-49(47,48)43(27-29-11-12-29)34-10-6-5-9-33(34)39-17-21-42(22-18-39)37(46)31(25-28-13-15-32(38)16-14-28)26-35(44)40-19-23-41(24-20-40)36(45)30-7-3-2-4-8-30/h2-10,13-16,29,31H,11-12,17-27H2,1H3/t31-/m0/s1
PubChem CID44349593
ChEMBLCHEMBL341055
IUPHARN/A
BindingDB50138303
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9187Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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