SEQ2FUN

BioLiP

PDB CCD ID: E5Z
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N5 O4 S
InChI: InChI=1S/C15H17N5O4S/c16-25(23,24)13-3-1-11(2-4-13)15(22)19-8-6-14(21)18-7-5-12-9-17-10-20-12/h1-4,7,9-10H,5-6,8H2,(H,17,20)(H,19,22)(H2,16,23,24)/b18-7+
InChIKey: LTYZHWDSZIFGNF-CNHKJKLMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)NCCC(=O)/N=C/Cc2cnc[nH]2)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N=CCc2[nH]cnc2
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)NCCC(=O)N=CCc2cnc[nH]2)S(=O)(=O)N
Name:~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide
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).