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BioLiP

PDB CCD ID: BFL
Number of entries in BioLiP: 2
Chemical formula: C15 H14 O2
InChI: InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKey: JALUUBQFLPUJMY-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@H](C(O)=O)c1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.5.0C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O
CACTVS 3.341C[CH](C(O)=O)c1ccc(cc1)c2ccccc2
ACDLabs 10.04O=C(O)C(c2ccc(c1ccccc1)cc2)C
OpenEye OEToolkits 1.5.0CC(c1ccc(cc1)c2ccccc2)C(=O)O
Name:2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID
DrugBank: DB02047
ZINC: ZINC000000000361
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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