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BioLiP

PDB CCD ID: S3J
Number of entries in BioLiP: 1
Chemical formula: C13 H17 N O2
InChI: InChI=1S/C13H17NO2/c15-13(16)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKey: OAMRZYKCPQKDBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C2CCN(CC2)CC(=O)O
CACTVS 3.385OC(=O)CN1CCC(CC1)c2ccccc2
Name:2-(4-phenylpiperidin-1-yl)ethanoic acid
ChEMBL: CHEMBL3464675
ZINC: ZINC000000808022
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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