BioLiP

PDB

BioLiP

PDB CCD ID:

A1CDI

Number of entries in BioLiP:

Chemical formula:

C18 H18 F N3 O4 S

InChI:

InChI=1S/C18H18FN3O4S/c1-3-26-13-8-11(2)17(19)15(9-13)18(23)21-22-27(24,25)14-5-4-12-6-7-20-16(12)10-14/h4-10,20,22H,3H2,1-2H3,(H,21,23)

InChIKey:

HFIZYSCCOHLHBD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccc3cc[nH]c3c2
OpenEye OEToolkits 3.1.0.0	CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3cc[nH]c3c2)F)C
ACDLabs 14.52	CCOc1cc(c(F)c(C)c1)C(=O)NNS(=O)(=O)c1ccc2cc[NH]c2c1

Name:

5-ethoxy-2-fluoro-N'-(1H-indole-6-sulfonyl)-3-methylbenzohydrazide

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).