SEQ2FUN

BioLiP

PDB CCD ID: 4GO
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N3 O
InChI: InChI=1S/C11H15N3O/c12-11(15)8-5-6-10(13-7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
InChIKey: HTKJVDABQHUEPR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(cnc(c1)NC2CCCC2)C(=O)N
OpenEye OEToolkits 1.9.2c1cc(ncc1C(=O)N)NC2CCCC2
CACTVS 3.385NC(=O)c1ccc(NC2CCCC2)nc1
Name:6-(cyclopentylamino)pyridine-3-carboxamide
ChEMBL: CHEMBL5276604
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).