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BioLiP

PDB CCD ID: X6P
Number of entries in BioLiP: 4
Chemical formula: C12 H11 N O2
InChI: InChI=1S/C12H11NO2/c1-13-7-3-6-11(13)9-4-2-5-10(8-9)12(14)15/h2-8H,1H3,(H,14,15)
InChIKey: UIRGFNLTEWMULM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cccc1c2cccc(c2)C(=O)O
CACTVS 3.385Cn1cccc1c2cccc(c2)C(O)=O
Name:3-(1-methylpyrrol-2-yl)benzoic acid
ChEMBL: CHEMBL4162292
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)(download the PDF file).
  • 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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