SEQ2FUN

BioLiP

PDB CCD ID: M79
Number of entries in BioLiP: 1
Chemical formula: C18 H26 Cl N3 O2
InChI: InChI=1S/C18H26ClN3O2/c1-18(2,21-15-6-4-3-5-7-15)17(24)22-10-8-14(9-11-22)13-20-16(23)12-19/h3-7,14,21H,8-13H2,1-2H3,(H,20,23)
InChIKey: WCADFXCJTLAGNP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl
OpenEye OEToolkits 2.0.7CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccccc2
Name:2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide
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).