SEQ2FUN

BioLiP

PDB CCD ID: DN3
Number of entries in BioLiP: 4
Chemical formula: C17 H18 N6 O
InChI: InChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKey: YNFKRUNLXWQDEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
ACDLabs 12.01O=C(c1cccc(c1)CN(C)C)Nc2cccc(c2)c3nnnn3
Name:3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
ChEMBL: CHEMBL2031553
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).