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BioLiP

PDB CCD ID: BE2
Number of entries in BioLiP: 66
Chemical formula: C7 H7 N O2
InChI: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey: RWZYAGGXGHYGMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ccccc1C(O)=O
ACDLabs 10.04O=C(O)c1ccccc1N
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)N
Name:2-AMINOBENZOIC ACID
ChEMBL: CHEMBL14173
DrugBank: DB04166
ZINC: ZINC000000047985
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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