SEQ2FUN

BioLiP

PDB CCD ID: A1CL4
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N O2
InChI: InChI=1S/C15H13NO2/c17-15(18)13-5-1-4-12(13)10-6-7-14-11(9-10)3-2-8-16-14/h2-3,6-9H,1,4-5H2,(H,17,18)
InChIKey: JOJFUPITKQWRLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2cc(ccc2nc1)C3=C(CCC3)C(=O)O
CACTVS 3.385OC(=O)C1=C(CCC1)c2ccc3ncccc3c2
ACDLabs 14.52O=C(O)C=1CCCC=1c1ccc2ncccc2c1
Name:(2P)-2-(quinolin-6-yl)cyclopent-1-ene-1-carboxylic acid
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).