SEQ2FUN

BioLiP

PDB CCD ID: VWC
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 O2
InChI: InChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKey: BMAFPTCNYPHNMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NNC(=O)c1ccc(OCC(C)C)cc1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)COc1ccc(cc1)C(=O)NN
Name:4-(2-methylpropoxy)benzohydrazide
ZINC: ZINC000002565564
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).