SEQ2FUN

BioLiP

PDB CCD ID: AEH
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N O
InChI: InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKey: LDAFQVRTSOETPE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCc1cc(ccc1O)CCN
CACTVS 3.341CCc1cc(CCN)ccc1O
ACDLabs 10.04Oc1ccc(cc1CC)CCN
Name:4-(2-aminoethyl)-2-ethylphenol
ChEMBL: CHEMBL255750
DrugBank: DB07346
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).