BioLiP

PDB

BioLiP

PDB CCD ID:

E1C

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O4 S

InChI:

InChI=1S/C10H16N2O4S/c1-4-6-8(10(13)14)9(17(11,15)16)7(5-2)12(6)3/h4-5H2,1-3H3,(H,13,14)(H2,11,15,16)

InChIKey:

XSESKJZGUOEQOI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1n(C)c(CC)c(c1C(O)=O)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7	CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O

Name:

2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-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).