SEQ2FUN

BioLiP

PDB CCD ID: 4K2
Number of entries in BioLiP: 4
Chemical formula: C15 H16 N2 O2
InChI: InChI=1S/C15H16N2O2/c18-15(17-10-2-1-3-11-17)19-13-8-4-6-12-7-5-9-16-14(12)13/h4-9H,1-3,10-11H2
InChIKey: NMAHWWYZVAQAMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Oc1cccc2cccnc12)N3CCCCC3
ACDLabs 12.01c2cc1cccnc1c(c2)OC(=O)N3CCCCC3
OpenEye OEToolkits 1.9.2c1cc2cccnc2c(c1)OC(=O)N3CCCCC3
Name:quinolin-8-yl piperidine-1-carboxylate
ChEMBL: CHEMBL4912170
ZINC: ZINC000000107100
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).