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BioLiP

PDB CCD ID: 2UV
Number of entries in BioLiP: 2
Chemical formula: C16 H16 O3
InChI: InChI=1S/C16H16O3/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(10-13)16(18)19/h4-10,17H,2-3H2,1H3,(H,18,19)
InChIKey: UJKHDAKYKWKQAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(ccc1O)c2ccc(cc2)CCC
OpenEye OEToolkits 1.7.6CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O
CACTVS 3.385CCCc1ccc(cc1)c2ccc(O)c(c2)C(O)=O
Name:4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
ChEMBL: CHEMBL3126318
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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