LDR

phenanthridin-6(5H)-one

Created:	2011-06-14
Last modified:	2011-06-14

Find Related PDB Entry
4 entries where LDR is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	12

2D diagram of LDR

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	phenanthridin-6(5H)-one
Systematic Name (OpenEye OEToolkits)	5H-phenanthridin-6-one
Formula	C₁₃ H₉ N O
Molecular Weight	195.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c3c(c1c(cccc1)N2)cccc3
SMILES	CACTVS	3.370	O=C1Nc2ccccc2c3ccccc13
SMILES	OpenEye OEToolkits	1.7.2	c1ccc2c(c1)-c3ccccc3NC2=O
Canonical SMILES	CACTVS	3.370	O=C1Nc2ccccc2c3ccccc13
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc2c(c1)-c3ccccc3NC2=O
InChI	InChI	1.03	InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKey	InChI	1.03	RZFVLEJOHSLEFR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL45245
PubChem	1853
ChEMBL	CHEMBL45245
ChEBI	CHEBI:75292

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.