SEQ2FUN

BioLiP

PDB CCD ID: A1BXL
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N3 O
InChI: InChI=1S/C15H17N3O/c19-15(12-6-9-16-10-7-12)18-13-5-1-3-11-4-2-8-17-14(11)13/h1-5,8,12,16H,6-7,9-10H2,(H,18,19)
InChIKey: SKJCEUNRNVCDAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2cccnc2c(c1)NC(=O)C3CCNCC3
ACDLabs 14.52O=C(Nc1cccc2cccnc21)C1CCNCC1
CACTVS 3.385O=C(Nc1cccc2cccnc12)C3CCNCC3
Name:N-(quinolin-8-yl)piperidine-4-carboxamide
ChEMBL: CHEMBL5607743
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).