BioLiP

PDB

BioLiP

PDB CCD ID:

R9V

Number of entries in BioLiP:

Chemical formula:

C14 H19 N O

InChI:

InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+

InChIKey:

HCBGIBWAPOFRKI-WDNDVIMCSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1ccccc1CN3C2CC(CC3CC2)O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CN2C3CCC2CC(C3)O
CACTVS 3.385	O[C@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccccc3
CACTVS 3.385	O[CH]1C[CH]2CC[CH](C1)N2Cc3ccccc3
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O

Name:

(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol

ZINC:

ZINC000245204779

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).