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BioLiP

PDB CCD ID: PQX
Number of entries in BioLiP: 0
Chemical formula: C18 H21 N O2
InChI: InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKey: KGMWLBRRSONKQK-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)O
CACTVS 3.385C[CH](N1CCC(CC1)C(O)=O)c2cccc3ccccc23
CACTVS 3.385C[C@@H](N1CCC(CC1)C(O)=O)c2cccc3ccccc23
OpenEye OEToolkits 2.0.7C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)O
Name:1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
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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