BioLiP

PDB

BioLiP

PDB CCD ID:

A1CFI

Number of entries in BioLiP:

Chemical formula:

C16 H13 N O4 S

InChI:

InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)

InChIKey:

YGNDWDUEMICDLW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc1ccccc1
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
CACTVS 3.385	Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O)=O

Name:

7-anilino-4-hydroxynaphthalene-2-sulfonic acid

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).