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BioLiP

PDB CCD ID: 6HM
Number of entries in BioLiP: 2
Chemical formula: C16 H14 O4
InChI: InChI=1S/C16H14O4/c17-15(18)14(16(19)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20)
InChIKey: NRIDIKKHBOBNRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O
CACTVS 3.385OC(=O)C(Cc1ccccc1c2ccccc2)C(O)=O
ACDLabs 12.01c2ccc(c1ccccc1)c(CC(C(O)=O)C(O)=O)c2
Name:[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid
ChEMBL: CHEMBL1595667
ZINC: ZINC000001615121
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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