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CHEBI:233480 - HMTase Inhibitor IX

Default Structure
ChEBI IDCHEBI:233480
ChEBI NameHMTase Inhibitor IX
Stars
DefinitionMM-102 (HMTase Inhibitor IX) is a high-affinity peptidomimetic inhibitor of the WDR5/MLL1 protein-protein interaction.
Submitterjonmuyskens
DownloadsMolfile
FormulaC35H49F2N7O4
Net Charge0
Average Mass669.818
Monoisotopic Mass669.38141
SMILES[H]c1c([H])c(C([H])(c2c([H])c([H])c(F)c([H])c2[H])N([H])C(=O)C2(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([H])c([H])c1F
InChIInChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
InChIKeyRZKSQRIPRKWVBU-MHZLTWQESA-N
ChEBI Ontology
Outgoing Relation(s)
HMTase Inhibitor IX (CHEBI:233480) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
MM-102SUBMITTER
MM102SUBMITTER
N-[bis(4-fluorophenyl)methyl]-1-[[(2S)-5-(diaminomethylideneamino)-2-[[2-ethyl-2-(2-methylpropanoylamino)butanoyl]amino]pentanoyl]amino]cyclopentane-1-carboxamideSUBMITTER
Registry NumbersSources
CAS:1417329-24-8SUBMITTER
Citations