SEQ2FUN

BioLiP

PDB CCD ID: UV7
Number of entries in BioLiP: 3
Chemical formula: C6 H9 N3 O
InChI: InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKey: VFAFDDVJGKOBTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7
CC(=O)NCc1c[nH]nc1
ACDLabs 12.01n1cc(cn1)CNC(C)=O
Name:N-[(1H-pyrazol-4-yl)methyl]acetamide
ZINC: ZINC000037987327

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).