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Ligand

NameCHEMBL236194
Molecular formulaC43H69N11O8
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-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]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
Molecular weight868.094
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP3.8
SynonymsN/A
Inchi KeyAJESXLFWTRQWBV-UMURWTGRSA-N
Inchi IDInChI=1S/C43H69N11O8/c1-10-26(8)35(37(44)56)52-39(58)30(19-23(3)4)50-38(57)29(13-12-18-47-43(45)46)49-34(55)22-48-42(61)36(27(9)11-2)53-40(59)31(20-24(5)6)51-41(60)32-21-33(62-54-32)28-16-14-25(7)15-17-28/h14-17,21,23-24,26-27,29-31,35-36H,10-13,18-20,22H2,1-9H3,(H2,44,56)(H,48,61)(H,49,55)(H,50,57)(H,51,60)(H,52,58)(H,53,59)(H4,45,46,47)/t26-,27-,29-,30-,31-,35-,36-/m0/s1
PubChem CID44433918
ChEMBLCHEMBL236194
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536110Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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