BioLiP

PDB

BioLiP

PDB CCD ID:

INV

Number of entries in BioLiP:

Chemical formula:

C14 H13 F N2 O3 S

InChI:

InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)

InChIKey:

IXDVPACDZDRCTN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2
ACDLabs 10.04	Fc1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N
OpenEye OEToolkits 1.5.0	c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F

Name:

4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE

DrugBank:

DB02429

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).