SEQ2FUN

BioLiP

PDB CCD ID: FXH
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N O
InChI: InChI=1S/C13H15NO/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13(12)15/h3-8,15H,9H2,1-2H3
InChIKey: GOHHBFSPKLRUNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(C)Cc1c2ccccc2ccc1O
CACTVS 3.385CN(C)Cc1c(O)ccc2ccccc12
Name:1-[(dimethylamino)methyl]naphthalen-2-ol
ChEMBL: CHEMBL1368771
ZINC: ZINC000000129301
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).