SEQ2FUN

BioLiP

PDB CCD ID: T0J
Number of entries in BioLiP: 2
Chemical formula: C13 H17 N3 O2
InChI: InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
InChIKey: OSBGPHZLIBZPGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N
CACTVS 3.385NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2
ACDLabs 12.01C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O
Name:N~1~-phenylpiperidine-1,4-dicarboxamide
ChEMBL: CHEMBL1569611
ZINC: ZINC000000249866
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).