BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N
CACTVS 3.341	Nc1ccc2cc3ccc(N)cc3[nH+]c2c1
ACDLabs 10.04	c3(ccc2cc1ccc(N)cc1[nH+]c2c3)N

Name:

PROFLAVINE

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).