SEQ2FUN

BioLiP

PDB CCD ID: ID7
Number of entries in BioLiP: 3
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKey: XJLSEXAGTJCILF-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[C@@H]1CCCNC1
OpenEye OEToolkits 2.0.7C1CC(CNC1)C(=O)O
OpenEye OEToolkits 2.0.7C1C[C@H](CNC1)C(=O)O
CACTVS 3.385OC(=O)[CH]1CCCNC1
Name:(3R)-piperidine-3-carboxylic acid;
(R)-nipecotic acid
ChEMBL: CHEMBL77575
ZINC: ZINC000002141051
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).