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Ligand

NameCHEMBL2431723
Molecular formulaC40H61N11O10
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
Molecular weight855.995
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP2.5
SynonymsBDBM50440873
Inchi KeyJMLUVXHKPBQLOM-DRMJLGPGSA-N
Inchi IDInChI=1S/C40H61N11O10/c1-7-23(5)32(34(41)53)49-37(56)29(20-25-13-15-26(16-14-25)51(59)60)47-35(54)27(11-9-17-44-40(42)43)46-31(52)21-45-39(58)33(24(6)8-2)50-36(55)28(19-22(3)4)48-38(57)30-12-10-18-61-30/h10,12-16,18,22-24,27-29,32-33H,7-9,11,17,19-21H2,1-6H3,(H2,41,53)(H,45,58)(H,46,52)(H,47,54)(H,48,57)(H,49,56)(H,50,55)(H4,42,43,44)/t23-,24-,27-,28-,29-,32-,33-/m0/s1
PubChem CID73346321
ChEMBLCHEMBL2431723
IUPHARN/A
BindingDB50440873
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
154539Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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