BioLiP

PDB

BioLiP

PDB CCD ID:

E70

Number of entries in BioLiP:

Chemical formula:

C18 H17 N3 O4 S

InChI:

InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)

InChIKey:

URCVCIZFVQDVPM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O
ACDLabs 10.04	O=S(=O)(c1ccc(OC)cc1)Nc3cccnc3Nc2ccc(O)cc2
CACTVS 3.341	COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3

Name:

N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide

ChEMBL:

CHEMBL20684

DrugBank:

DB12254

ZINC:

ZINC000000598089

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).