BioLiP

PDB

BioLiP

PDB CCD ID:

S6I

Number of entries in BioLiP:

Chemical formula:

C12 H17 N3 O3 S

InChI:

InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)

InChIKey:

QRZYENXYGGOPSS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[S](=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
ACDLabs 12.01	O=C(Nc1ccc(cc1)S(=O)(=O)N)NC2CCCC2
OpenEye OEToolkits 1.7.0	c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N

Name:

4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide

ChEMBL:

CHEMBL1615215

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).