SEQ2FUN

BioLiP

PDB CCD ID: LCB
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N6 O2 S
InChI: InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)
InChIKey: UZLCQAXOQKFVGP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N
CACTVS 3.385CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3nc[nH]c13
Name:4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
ChEMBL: CHEMBL4090226
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).