SEQ2FUN

BioLiP

PDB CCD ID: AXG
Number of entries in BioLiP: 2
Chemical formula: C16 H20 N2
InChI: InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2
InChIKey: UPRFZLANTXURKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CN2CCC(CC2)n3cccc3
CACTVS 3.385C1CN(CCC1n2cccc2)Cc3ccccc3
Name:1-(phenylmethyl)-4-pyrrol-1-yl-piperidine
ChEMBL: CHEMBL326877
ZINC: ZINC000000161500
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).