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BioLiP

PDB CCD ID: RRH
Number of entries in BioLiP: 1
Chemical formula: C24 H24 O3
InChI: InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKey: LGZFNUULAZCXCA-HSZRJFAPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)=O)cc2
OpenEye OEToolkits 1.7.6CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O
CACTVS 3.370CC(C)c1ccccc1c2ccc(O[C@H](Cc3ccccc3)C(O)=O)cc2
ACDLabs 12.01O=C(O)C(Oc1ccc(cc1)c2ccccc2C(C)C)Cc3ccccc3
OpenEye OEToolkits 1.7.6CC(C)c1ccccc1c2ccc(cc2)OC(Cc3ccccc3)C(=O)O
Name:(2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
ChEMBL: CHEMBL2312703
ZINC: ZINC000095597509
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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