BioLiP

PDB

BioLiP

PDB CCD ID:

A1IXC

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O

InChI:

InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m1/s1

InChIKey:

IVLICPVPXWEGCA-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CN2CCC1C(C2)O
CACTVS 3.385	O[CH]1CN2CCC1CC2
OpenEye OEToolkits 2.0.7	C1CN2CCC1[C@@H](C2)O
CACTVS 3.385	O[C@@H]1CN2CCC1CC2

Name:

(3~{S})-1-azabicyclo[2.2.2]octan-3-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).