BioLiP

PDB

BioLiP

PDB CCD ID:

PZV

Number of entries in BioLiP:

Chemical formula:

C16 H15 F N2 O3 S

InChI:

InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3

InChIKey:

MLAUXXOCJYXBIG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23
CACTVS 3.385	CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F
OpenEye OEToolkits 2.0.7	CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F

Name:

1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

ChEMBL:

CHEMBL4470644

ZINC:

ZINC000058290514

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).