SEQ2FUN

BioLiP

PDB CCD ID: AED
Number of entries in BioLiP: 1
Chemical formula: C14 H21 N O
InChI: InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2
InChIKey: DOCCSEDGBYCYLS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1ccc(cc1C2CCCCC2)CCN
OpenEye OEToolkits 1.5.0c1cc(c(cc1CCN)C2CCCCC2)O
CACTVS 3.341NCCc1ccc(O)c(c1)C2CCCCC2
Name:4-(2-aminoethyl)-2-cyclohexylphenol
ChEMBL: CHEMBL404150
DrugBank: DB07345
ZINC: ZINC000024966463
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).