SEQ2FUN

BioLiP

PDB CCD ID: QJT
Number of entries in BioLiP: 1
Chemical formula: C21 H32 N2 O
InChI: InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
InChIKey: PHMGZAICAOYEAF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
CACTVS 3.385CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Name:1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
ChEMBL: CHEMBL3354065
ZINC: ZINC000038410698
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).