SEQ2FUN

BioLiP

PDB CCD ID: 47S
Number of entries in BioLiP: 3
Chemical formula: C9 H13 N3 O
InChI: InChI=1S/C9H13N3O/c1-12(2)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKey: UBSSYVLPIDYZJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1cc(N(C)C)ccc1)NN
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CN(C)c1cccc(c1)C(=O)NN
Name:3-(dimethylamino)benzohydrazide
ZINC: ZINC000002561227
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).