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Ligand

NameCHEMBL236293
Molecular formulaC43H68N10O7
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]naphthalene-2-carboxamide
Molecular weight837.08
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP4.2
SynonymsBDBM50440855
Inchi KeyBQCCYUKFUFRCJR-KPGVIOAXSA-N
Inchi IDInChI=1S/C43H68N10O7/c1-9-26(7)35(37(44)55)52-40(58)33(21-25(5)6)51-39(57)31(16-13-19-47-43(45)46)49-34(54)23-48-42(60)36(27(8)10-2)53-41(59)32(20-24(3)4)50-38(56)30-18-17-28-14-11-12-15-29(28)22-30/h11-12,14-15,17-18,22,24-27,31-33,35-36H,9-10,13,16,19-21,23H2,1-8H3,(H2,44,55)(H,48,60)(H,49,54)(H,50,56)(H,51,57)(H,52,58)(H,53,59)(H4,45,46,47)/t26-,27-,31-,32-,33-,35-,36-/m0/s1
PubChem CID44433904
ChEMBLCHEMBL236293
IUPHARN/A
BindingDB50440855
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
30132Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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