SEQ2FUN

BioLiP

PDB CCD ID: PF7
Number of entries in BioLiP: 2
Chemical formula: C16 H18 N2 O2
InChI: InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
InChIKey: QUAGUFNCKDDJFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2
ACDLabs 10.04O=C(O)N3CCC(Cc1cc2ccccc2nc1)CC3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O
Name:4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
DrugBank: DB08385
ZINC: ZINC000038995984
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).