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BioLiP

PDB CCD ID: F4K
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2
InChIKey: LQQQPLUFBVYLRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc(cc1)n2cccc2
OpenEye OEToolkits 2.0.6c1ccn(c1)c2ccc(cc2)CO
Name:(4-pyrrol-1-ylphenyl)methanol
ChEMBL: CHEMBL4244103
ZINC: ZINC000000159036
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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