SEQ2FUN

BioLiP

PDB CCD ID: GJG
Number of entries in BioLiP: 1
Chemical formula: C12 H17 N3 O
InChI: InChI=1S/C12H17N3O/c13-12(16)9-6-7-11(14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,13,16)(H,14,15)
InChIKey: DGZXVZSOZVPFDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc(NC2CCCCC2)nc1
OpenEye OEToolkits 2.0.6c1cc(ncc1C(=O)N)NC2CCCCC2
ACDLabs 12.01n1cc(ccc1NC2CCCCC2)C(=O)N
Name:6-(cyclohexylamino)pyridine-3-carboxamide
ChEMBL: CHEMBL4279288
ZINC: ZINC000012857452
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).