SEQ2FUN

BioLiP

PDB CCD ID: JCF
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c1-6-2-3-7-4-8(11(12)15)5-9(14)10(7)13-6/h2-5,14H,1H3,(H2,12,15)
InChIKey: CTRBRVRHXAPYCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2cc(cc(O)c2n1)C(N)=O
OpenEye OEToolkits 1.7.6Cc1ccc2cc(cc(c2n1)O)C(=O)N
ACDLabs 12.01O=C(c1cc(O)c2nc(ccc2c1)C)N
Name:8-hydroxy-2-methylquinoline-6-carboxamide
ChEMBL: CHEMBL3916938
ZINC: ZINC000263620327
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).