SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

0

Chemical formula:

C12 H13 N O3 S

InChI:

InChI=1S/C12H13NO3S/c1-13(2)12-5-3-4-9-8-10(17(14,15)16)6-7-11(9)12/h3-8H,1-2H3,(H,14,15,16)

InChIKey:

VENHBDIMAAXWKI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C)c1cccc2cc(ccc12)[S](O)(=O)=O
OpenEye OEToolkits 1.5.0	CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O
ACDLabs 10.04	O=S(=O)(O)c1ccc2c(c1)cccc2N(C)C

Name:

5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID

DrugBank:

ZINC:

ZINC000006388560

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).