SEQ2FUN

BioLiP

PDB CCD ID: 99Z
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N4 O3 S2
InChI: InChI=1S/C17H16N4O3S2/c1-10-4-2-3-5-13(10)14(22)15-16(18)21-17(25-15)20-11-6-8-12(9-7-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
InChIKey: MVVLOKWZBCMJJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1ccccc1C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
OpenEye OEToolkits 1.7.2Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
ACDLabs 12.01O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccccc2C)N)cc3
Name:4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
ChEMBL: CHEMBL2377814
ZINC: ZINC000095921159
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).