SEQ2FUN

BioLiP

PDB CCD ID: EYY
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N O2
InChI: InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
InChIKey: PBXJDATXARPDPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ccc(n2)CCC(=O)O
CACTVS 3.385OC(=O)CCc1ccc2ccccc2n1
ACDLabs 12.01C(C(O)=O)Cc2ccc1ccccc1n2
Name:3-(quinolin-2-yl)propanoic acid
ChEMBL: CHEMBL4218506
ZINC: ZINC000001654190
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).