BioLiP

PDB

BioLiP

PDB CCD ID:

LS4

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O3 S2

InChI:

InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-

InChIKey:

BOMPRXSVSIPRDT-PTNGSMBKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2
CACTVS 3.341	O=C\1Nc2ccccc2C\1=C/Nc3ccc(cc3)[S](=O)(=O)Nc4sccn4
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)N2
CACTVS 3.341	O=C1Nc2ccccc2C1=CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4
ACDLabs 10.04	O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4

Name:

4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE

ChEMBL:

CHEMBL1234088

DrugBank:

DB08125

ZINC:

ZINC000010254751

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).