BioLiP

PDB

BioLiP

PDB CCD ID:

GCZ

Number of entries in BioLiP:

Chemical formula:

C15 H21 N3 O3 S

InChI:

InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+

InChIKey:

BOVGTQGAOIONJV-BETUJISGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2
ACDLabs 12.01	O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C
OpenEye OEToolkits 1.9.2	Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2
CACTVS 3.385	Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2C[CH]3CCC[CH]3C2
CACTVS 3.385	Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2

Name:

N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide;
gliclazide

DrugBank:

DB01120

ZINC:

ZINC000012461841

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).