HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound GND

Identifiers

  • Canonical SMILES: 
    NC(=N)NCCC[C@H]([NH3+])C(O)=O
  • IUPAC name: 
    (1S)-4-carbamimidamido-1-carboxybutan-1-aminium
  • InChi: 
    InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
  • InChiKey: 
    ODKSFYDXXFIFQN-BYPYZUCNSA-O

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

52941769

RNA-SM complexes

PDB code Deposition date Reference publication
1nbk Dec. 3, 2002 Matsugami Akimasa, Kobayashi Shin-ichiro, Ouhashi Kiyoshi, Uesugi Seiichi, Yamamoto Rika, Taira Kazunari, Nishikawa Satoshi, Kumar Penmetcha K.R, Katahira Masato. . Structural Basis of the Highly Efficient Trapping of the HIV Tat Protein by an RNA Aptamer Structure
1nbk Dec. 3, 2002 Matsugami Akimasa, Kobayashi Shin-ichiro, Ouhashi Kiyoshi, Uesugi Seiichi, Yamamoto Rika, Taira Kazunari, Nishikawa Satoshi, Kumar Penmetcha K.R, Katahira Masato. . Structural Basis of the Highly Efficient Trapping of the HIV Tat Protein by an RNA Aptamer Structure

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 175.12 g/mol
HBA 2
HBD 5
HBA + HBD
AlogP -2.06
TPSA 126.84
RB 5

Radar chart