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Ligand

NameCHEMBL396183
Molecular formulaC38H64N12O10
IUPAC name(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-methylpentanamide
Molecular weight849.004
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-0.2
SynonymsN/A
Inchi KeyDRYKPIUXTBKQEF-LCEIJQIJSA-N
Inchi IDInChI=1S/C38H64N12O10/c1-7-21(5)30(32(40)53)48-36(57)28(17-23-11-13-24(14-12-23)50(59)60)47-34(55)26(10-9-15-43-38(41)42)45-29(52)18-44-37(58)31(22(6)8-2)49-35(56)27(16-20(3)4)46-33(54)25(39)19-51/h11-14,20-22,25-28,30-31,51H,7-10,15-19,39H2,1-6H3,(H2,40,53)(H,44,58)(H,45,52)(H,46,54)(H,47,55)(H,48,57)(H,49,56)(H4,41,42,43)/t21-,22-,25-,26-,27-,28-,30-,31-/m0/s1
PubChem CID44433870
ChEMBLCHEMBL396183
IUPHARN/A
BindingDBN/A
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
67377Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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