SEQ2FUN

BioLiP

PDB CCD ID: GNM
Number of entries in BioLiP: 2
Chemical formula: C10 H6 Br N O3
InChI: InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey: NKUGXZLINWIUOR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O
CACTVS 3.385OC(=O)C1=CNc2c(Br)cccc2C1=O
ACDLabs 12.01c2c(c1c(C(C(C(O)=O)=CN1)=O)cc2)Br
Name:8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
ChEMBL: CHEMBL426699
ZINC: ZINC000000151634
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).