SEQ2FUN

BioLiP

PDB CCD ID: 5WZ
Number of entries in BioLiP: 1
Chemical formula: C9 H16 N2 O
InChI: InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2
InChIKey: GCYSQXZPDQBVCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1CC1C(=O)N2CCC(CC2)N
CACTVS 3.385NC1CCN(CC1)C(=O)C2CC2
Name:(4-azanylpiperidin-1-yl)-cyclopropyl-methanone
ChEMBL: CHEMBL3774759
ZINC: ZINC000004502812
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).