BioLiP

PDB

BioLiP

PDB CCD ID:

U98

Number of entries in BioLiP:

Chemical formula:

C12 H10 F3 N3 O2 S

InChI:

InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(21(16,19)20)5-2-6-17-11/h1-7H,(H,17,18)(H2,16,19,20)

InChIKey:

WOYXTNYWFYWXFO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N
CACTVS 3.370	N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F

Name:

2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide

ChEMBL:

CHEMBL1330078

ZINC:

ZINC000000481463

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).