SEQ2FUN

BioLiP

PDB CCD ID: UV1
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O2
InChI: InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13)
InChIKey: NEMWEYAZCVDHEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc2NC(=O)CCCc12
OpenEye OEToolkits 2.0.7COc1cccc2c1CCCC(=O)N2
ACDLabs 12.01c2c1NC(CCCc1c(OC)cc2)=O
Name:6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
ZINC: ZINC000083255245
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).