SEQ2FUN

BioLiP

PDB CCD ID: DHQ
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O
InChI: InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey: RLLZPXDJYADIEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc2c1CCNC2=O
ACDLabs 10.04O=C2c1cccc(c1CCN2)C
CACTVS 3.341Cc1cccc2C(=O)NCCc12
Name:3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE
ChEMBL: CHEMBL125200
DrugBank: DB03722
ZINC: ZINC000003803136
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).