SEQ2FUN

BioLiP

PDB CCD ID: TUC
Number of entries in BioLiP: 0
Chemical formula: C11 H9 N O3
InChI: InChI=1S/C11H9NO3/c13-11(14)7-15-10-3-1-2-8-6-12-5-4-9(8)10/h1-6H,7H2,(H,13,14)
InChIKey: LBTFJCUQNGDFML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2cnccc2c(c1)OCC(=O)O
CACTVS 3.370OC(=O)COc1cccc2cnccc12
ACDLabs 12.01O=C(O)COc1cccc2c1ccnc2
Name:(isoquinolin-5-yloxy)acetic acid
ZINC: ZINC000039334992
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).