SEQ2FUN

BioLiP

PDB CCD ID: O0Y
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N O
InChI: InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
InChIKey: WAVOOWVINKGEHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(N(CC)CC)cccc(c1)O
OpenEye OEToolkits 2.0.6CCN(CC)c1cccc(c1)O
CACTVS 3.385CCN(CC)c1cccc(O)c1
Name:3-(diethylamino)phenol
ChEMBL: CHEMBL1420719
ZINC: ZINC000000388040
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).