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BioLiP Library

PDB CCD ID: NPX
Number of entries in BioLiP: 13
Chemical formula: C14 H14 O3
InChI: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
InChIKey: CMWTZPSULFXXJA-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(c1ccc2cc(ccc2c1)OC)C(=O)O
OpenEye OEToolkits 1.7.2C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.370COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O
ACDLabs 12.01O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
CACTVS 3.370COc1ccc2cc(ccc2c1)[CH](C)C(O)=O
Name:(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
(R)-Naproxen
ChEMBL: CHEMBL1618254
ZINC: ZINC000000113439
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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