SEQ2FUN

BioLiP

PDB CCD ID: A1CL0
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N2 O2
InChI: InChI=1S/C14H12N2O2/c17-14(18)11-3-1-2-10(11)9-4-5-12-13(8-9)16-7-6-15-12/h4-8H,1-3H2,(H,17,18)
InChIKey: RJOAZSLBMIFWSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1C3=C(CCC3)C(=O)O)nccn2
ACDLabs 14.52O=C(O)C=1CCCC=1c1cc2nccnc2cc1
CACTVS 3.385OC(=O)C1=C(CCC1)c2ccc3nccnc3c2
Name:(2M)-2-(quinoxalin-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).