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BioLiP

PDB CCD ID: P1F
Number of entries in BioLiP: 8
Chemical formula: C18 H23 N O2
InChI: InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3
InChIKey: UGZFBZMADDXZRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCc1ccc(c(c1)O)Oc2ccccc2N
CACTVS 3.385CCCCCCc1ccc(Oc2ccccc2N)c(O)c1
ACDLabs 12.01O(c1c(N)cccc1)c2ccc(cc2O)CCCCCC
Name:2-(2-azanylphenoxy)-5-hexyl-phenol
ChEMBL: CHEMBL264434
ZINC: ZINC000029049928
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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