SEQ2FUN

BioLiP

PDB CCD ID: 60Q
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14)
InChIKey: GNWTWXOZRSBCOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(c(c1)C(=O)O)n2cccc2
CACTVS 3.385OC(=O)c1ccccc1n2cccc2
Name:2-pyrrol-1-ylbenzoic acid
ChEMBL: CHEMBL4227737
ZINC: ZINC000000139049
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).