SEQ2FUN

BioLiP

PDB CCD ID: K41
Number of entries in BioLiP: 6
Chemical formula: C6 H11 N5 O
InChI: InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12)
InChIKey: MJNGPLNGGSOMFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1nn(C)nc1NC(=O)C(C)C
OpenEye OEToolkits 2.0.6CC(C)C(=O)Nc1nnn(n1)C
CACTVS 3.385CC(C)C(=O)Nc1nnn(C)n1
Name:2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide
ChEMBL: CHEMBL1352374
ZINC: ZINC000000526080
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).