Compound HRG
Identifiers
- Canonical SMILES:
N[C@@H](CCCCNC(N)=N)C(O)=O
- IUPAC name:
N~6~-carbamimidoyl-L-lysine
- InChi:
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
- InChiKey:
QUOGESRFPZDMMT-YFKPBYRVSA-N
- SMARTS:
[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
9085
CHEMBL589752
HRG
DB03974
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 3diq | June 20, 2008 | Serganov Alexander, Huang Lili, Patel Dinshaw J.. 2008. Structural insights into amino acid binding and gene control by a lysine riboswitch Nature |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 188.13 g/mol | |||
| HBA | 3 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -0.95 | |||
| TPSA | 125.22 | |||
| RB | 6 |