SEQ2FUN

BioLiP

PDB CCD ID: QUA
Number of entries in BioLiP: 0
Chemical formula: C12 H13 N O4
InChI: InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1
InChIKey: FCGZNXGKWUHBKD-WKEGUHRASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(c1cc(nc2c1C=CCC2O)C(=O)O)O
ACDLabs 10.04O=C(O)c1nc2c(c(c1)C(O)C)C=CCC2O
CACTVS 3.341C[CH](O)c1cc(nc2[CH](O)CC=Cc12)C(O)=O
CACTVS 3.341C[C@H](O)c1cc(nc2[C@@H](O)CC=Cc12)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](c1cc(nc2c1C=CC[C@@H]2O)C(=O)O)O
Name:8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID
DrugBank: DB02566
ZINC: ZINC000006929734
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).