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Ligand

NameCHEMBL238406
Molecular formulaC39H67N11O9
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]-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
Molecular weight834.033
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP0.0
SynonymsN/A
Inchi KeyIDQIUUSKJXPWLA-GFWSYSKKSA-N
Inchi IDInChI=1S/C39H67N11O9/c1-7-22(5)31(33(41)54)49-36(57)28(16-13-24-11-14-25(52)15-12-24)47-35(56)27(10-9-17-44-39(42)43)46-30(53)19-45-38(59)32(23(6)8-2)50-37(58)29(18-21(3)4)48-34(55)26(40)20-51/h11-12,14-15,21-23,26-29,31-32,51-52H,7-10,13,16-20,40H2,1-6H3,(H2,41,54)(H,45,59)(H,46,53)(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H4,42,43,44)/t22-,23-,26-,27-,28-,29-,31-,32-/m0/s1
PubChem CID44433880
ChEMBLCHEMBL238406
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
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GLASS IDNameUniProtGeneSpeciesLength
539287Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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