SEQ2FUN

BioLiP

PDB CCD ID: E3X
Number of entries in BioLiP: 4
Chemical formula: C12 H15 N O
InChI: InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
InChIKey: GIGCUVKCMPXMAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC(=CC1)c2ccc(cc2)O
CACTVS 3.385CN1CCC(=CC1)c2ccc(O)cc2
Name:4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol
ChEMBL: CHEMBL108967
ZINC: ZINC000001706757
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).