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BioLiP

PDB CCD ID: 077
Number of entries in BioLiP: 2
Chemical formula: C17 H18 O3
InChI: InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)/t16-/m0/s1
InChIKey: ILGSIIFHQGOKKV-INIZCTEOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O[C@@H](CCc1ccc(cc1)c2ccccc2)CC(O)=O
OpenEye OEToolkits 1.6.1c1ccc(cc1)c2ccc(cc2)CCC(CC(=O)O)O
ACDLabs 10.04O=C(O)CC(O)CCc1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.6.1c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O
CACTVS 3.352O[CH](CCc1ccc(cc1)c2ccccc2)CC(O)=O
Name:(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid
ZINC: ZINC000045285503
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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