A02/PRD_000641

INHIBITOR ARC-1012

A02/PRD_000641 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3AG9.

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Chemical Component Summary

NameINHIBITOR ARC-1012
SynonymsARC-1012
Identifiers(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[6-[[(2R)-6-azanyl-1-[[6-[[(2R)-1-[[(2R)-1-azanyl-5-carbamimidamido-1-oxo-pentan-2-yl]amino]-5-carbamimidamido-1-oxo-pentan-2-yl]amino]-6-oxo-hexyl]amino]-1-oxo-hexan-2-yl]amino]-6-oxo-hexyl]-3,4-dihydroxy-oxolane-2-carboxamide
FormulaC40 H70 N18 O9
Molecular Weight947.099
TypePEPTIDE-LIKE
Isomeric SMILES[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChIInChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1
InChIKeyLIYNJKNSBUCWCZ-SAPGASOESA-N
CompositionPolymer Sequences: 44A-ACA-DLY-ACA-DAR-DAR-NH2
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count137
Chiral Atom Count7
Bond Count139
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL297394
PubChem 25190767
ChEMBL CHEMBL297394