BioLiP

PDB

BioLiP

PDB CCD ID:

F9T

Number of entries in BioLiP:

Chemical formula:

C23 H25 N O4

InChI:

InChI=1S/C23H25NO4/c1-2-3-4-5-7-17-10-15-21(20(25)16-17)27-18-11-13-19(14-12-18)28-23-9-6-8-22(26)24-23/h6,8-16,25H,2-5,7H2,1H3,(H,24,26)

InChIKey:

RNLVXOQANIRULJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O
CACTVS 3.385	CCCCCCc1ccc(Oc2ccc(Oc3cccc(O)n3)cc2)c(O)c1

Name:

6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol

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).