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Ligand

NameCHEMBL410759
Molecular formulaC37H64N12O8
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-pyridin-4-ylpropanoyl]amino]-3-methylpentanamide
Molecular weight804.995
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-1.1
SynonymsN/A
Inchi KeyITJNMJWZTWSUOQ-PTYPHENBSA-N
Inchi IDInChI=1S/C37H64N12O8/c1-7-21(5)29(31(39)52)48-35(56)27(17-23-11-14-42-15-12-23)47-33(54)25(10-9-13-43-37(40)41)45-28(51)18-44-36(57)30(22(6)8-2)49-34(55)26(16-20(3)4)46-32(53)24(38)19-50/h11-12,14-15,20-22,24-27,29-30,50H,7-10,13,16-19,38H2,1-6H3,(H2,39,52)(H,44,57)(H,45,51)(H,46,53)(H,47,54)(H,48,56)(H,49,55)(H4,40,41,43)/t21-,22-,24-,25-,26-,27-,29-,30-/m0/s1
PubChem CID44433867
ChEMBLCHEMBL410759
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
539585Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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