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BioLiP

PDB CCD ID: PF
Number of entries in BioLiP: 0
Chemical formula: C13 H12 N3
InChI: InChI=1/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1/fC13H12N3/h16H/q+1
InChIKey: WDVSHHCDHLJJJR-LJXQPQFLCS
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N
CACTVS 3.341Nc1ccc2cc3ccc(N)cc3[nH+]c2c1
ACDLabs 10.04c3(ccc2cc1ccc(N)cc1[nH+]c2c3)N
Name:PROFLAVINE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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