SEQ2FUN

BioLiP

PDB CCD ID: LQ2
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKey: JMHSCWJIDIKGNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N)C(=O)O
CACTVS 3.385NC(=O)c1ccc(cc1)C(O)=O
Name:4-aminocarbonylbenzoic acid
ChEMBL: CHEMBL335258
ZINC: ZINC000001494945
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).