BioLiP

PDB

BioLiP

PDB CCD ID:

651

Number of entries in BioLiP:

Chemical formula:

C19 H21 N O

InChI:

InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2/t19-/m0/s1

InChIKey:

WPCQYFUQHBLGAX-IBGZPJMESA-N

SMILES:

Software	SMILES
CACTVS 3.352	O[C]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4
OpenEye OEToolkits 1.7.0	c1ccc(cc1)c2ccc(cc2)C3(CN4CCC3CC4)O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O
CACTVS 3.352	O[C@@]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4

Name:

(3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol

ZINC:

ZINC000013556871

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).