SEQ2FUN

BioLiP

PDB CCD ID: HZR
Number of entries in BioLiP: 3
Chemical formula: C20 H25 Cl N2 O
InChI: InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
InChIKey: HYOGJHCDLQSAHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3
CACTVS 3.385CCCCN1C=CC(=C(Cl)C1=O)N2CCC(CC2)c3ccccc3
Name:1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
ChEMBL: CHEMBL3337527
DrugBank: DB12059
ZINC: ZINC000059047060
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).