BioLiP

PDB

BioLiP

PDB CCD ID:

G62

Number of entries in BioLiP:

Chemical formula:

C17 H17 N O2

InChI:

InChI=1S/C17H17NO2/c19-14-4-1-3-12(9-14)15-5-2-6-16(18-15)17-7-8-20-11-13(17)10-17/h1-6,9,13,19H,7-8,10-11H2/t13-,17+/m1/s1

InChIKey:

LKFXAVVNPRARMY-DYVFJYSZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(c1)c2cccc(n2)[C]34CCOC[CH]3C4
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)O)c2cccc(n2)C34CCOCC3C4
CACTVS 3.385	Oc1cccc(c1)c2cccc(n2)[C@]34CCOC[C@H]3C4

Name:

3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol

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).