SEQ2FUN

BioLiP

PDB CCD ID: 2AE
Number of entries in BioLiP: 1
Chemical formula: C7 H8 N2 O
InChI: InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey: PXBFMLJZNCDSMP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC(=O)c1ccccc1N
ACDLabs 12.01O=C(c1ccccc1N)N
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)N)N
Name:2-AMINO-BENZAMIDE
ChEMBL: CHEMBL43175
ZINC: ZINC000000152578
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).