SEQ2FUN

BioLiP

PDB CCD ID: 8T1
Number of entries in BioLiP: 4
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3
InChIKey: WGTBBJJGFRSXDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=O)C=Cc2cc(N)ccc12
OpenEye OEToolkits 2.0.6CN1c2ccc(cc2C=CC1=O)N
ACDLabs 12.01N1(C)C(=O)C=Cc2c1ccc(c2)N
Name:6-amino-1-methylquinolin-2(1H)-one
ChEMBL: CHEMBL4095549
ZINC: ZINC000036404380
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).