BioLiP

PDB

BioLiP

PDB CCD ID:

INW

Number of entries in BioLiP:

Chemical formula:

C14 H12 F2 N2 O3 S

InChI:

InChI=1S/C14H12F2N2O3S/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(6-3-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)

InChIKey:

NTDFJEKGSGSXME-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc1cc(F)ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N
OpenEye OEToolkits 1.5.0	c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N
CACTVS 3.341	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2F

Name:

4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE

DrugBank:

DB04180

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).