BioLiP

PDB

BioLiP

PDB CCD ID:

S9N

Number of entries in BioLiP:

Chemical formula:

C11 H9 F N2 O4 S

InChI:

InChI=1S/C11H9FN2O4S/c12-8-3-1-7(2-4-8)9-5-6-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18)

InChIKey:

IDOBAPQERIMOPF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F
CACTVS 3.385	N[S](=O)(=O)n1ccc(c2ccc(F)cc2)c1C(O)=O

Name:

3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid

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).