SEQ2FUN

BioLiP

PDB CCD ID: 04Y
Number of entries in BioLiP: 1
Chemical formula: C20 H23 N3 O
InChI: InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)16-9-12-23(13-10-16)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24)
InChIKey: IEDSUIIRTVCTDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NC1CC1)C2CCN(CC2)c3cnccc3c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4
ACDLabs 12.01O=C(NC1CC1)C1CCN(CC1)c1cnccc1c1ccccc1
Name:N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
ChEMBL: CHEMBL4594072
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).