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BioLiP

PDB CCD ID: VBQ
Number of entries in BioLiP: 1
Chemical formula: C16 H11 N O4
InChI: InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19)
InChIKey: XIDITRUNIYHCDR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3c(cccc3C(=O)NCC(=O)O)C2=O
CACTVS 3.385OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12
Name:2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
ChEMBL: CHEMBL5218656
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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