9BA/PRD_002270

inhibitor MM-589

9BA/PRD_002270 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5VFC.

Find entries where PRD_002270 is present


Toggle HydrogenToggle Labels

Chemical Component Summary

Nameinhibitor MM-589
Identifiers~{N}-[(3~{R},6~{S},9~{S},12~{R})-6-ethyl-12-methyl-9-[3-[(~{N}-methylcarbamimidoyl)amino]propyl]-2,5,8,11-tetrakis(oxidanylidene)-3-phenyl-1,4,7,10-tetrazacyclotetradec-12-yl]-2-methyl-propanamide
FormulaC28 H44 N8 O5
Molecular Weight572.7
TypePEPTIDE-LIKE
Isomeric SMILES[H]/N=C(\NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC
InChIInChI=1S/C28H44N8O5/c1-6-19-23(38)35-21(18-11-8-7-9-12-18)25(40)31-16-14-28(4,36-22(37)17(2)3)26(41)34-20(24(39)33-19)13-10-15-32-27(29)30-5/h7-9,11-12,17,19-21H,6,10,13-16H2,1-5H3,(H,31,40)(H,33,39)(H,34,41)(H,35,38)(H,36,37)(H3,29,30,32)/t19-,20-,21+,28+/m0/s1
InChIKeyZAIPJVQTYUSDTG-LDFBIXNTSA-N
CompositionPolymer Sequences: NMM-ABA-9BP-PG9
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count85
Chiral Atom Count4
Bond Count86
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 129010138
ChEMBL CHEMBL4116919