SEQ2FUN

BioLiP

PDB CCD ID: 8NB
Number of entries in BioLiP: 2
Chemical formula: C9 H10 Cl N O2
InChI: InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)
InChIKey: WNOVNNUWOUKIOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc(c(c1)Cl)OC
CACTVS 3.385COc1ccc(NC(C)=O)cc1Cl
Name:~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
ChEMBL: CHEMBL4094048
ZINC: ZINC000000133498
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).