SEQ2FUN

BioLiP

PDB CCD ID: P6V
Number of entries in BioLiP: 0
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c9-5-6-1-3-7(4-2-6)8(11)10-12/h1-4,12H,5,9H2,(H,10,11)
InChIKey: BEFFEYYOJBJYKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1ccc(cc1)C(=O)NO
ACDLabs 12.01C(NO)(c1ccc(CN)cc1)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1CN)C(=O)NO
Name:4-(aminomethyl)-N-hydroxybenzamide
ChEMBL: CHEMBL4591933
ZINC: ZINC000069635494
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).