PRD_000870

bisubstrate inhibitor

PRD_000870 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4FBX.

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Chemical Component Summary

Namebisubstrate inhibitor
Identifiers(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-formamidoethanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid
FormulaC23 H30 N6 O18
Molecular Weight678.514
TypePEPTIDE-LIKE
Isomeric SMILESC([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)CNC=O)C(=O)O
InChIInChI=1S/C23H30N6O18/c30-7-24-6-13(31)25-8(1-14(32)33)19(42)26-9(2-15(34)35)20(43)27-10(3-16(36)37)21(44)28-11(4-17(38)39)22(45)29-12(23(46)47)5-18(40)41/h7-12H,1-6H2,(H,24,30)(H,25,31)(H,26,42)(H,27,43)(H,28,44)(H,29,45)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,46,47)
InChIKeyBDAXYIMQBPWAPZ-UHFFFAOYSA-N
CompositionPolymer Sequences: 0TJ-GLY-ASP-ASP-ASP-ASP-ASP
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count5
Bond Count76
Aromatic Bond Count0