SEQ2FUN

BioLiP

PDB CCD ID: NZD
Number of entries in BioLiP: 4
Chemical formula: C12 H17 N3 O
InChI: InChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)
InChIKey: SXNAOFHNRSEHNL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CN1CCN(CC1)C(=O)Nc2ccccc2
ACDLabs 12.01N1(CCN(CC1)C(Nc2ccccc2)=O)C
Name:4-methyl-N-phenylpiperazine-1-carboxamide
ChEMBL: CHEMBL1622367
ZINC: ZINC000000236021
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).