BioLiP

PDB

BioLiP

PDB CCD ID:

A1EA2

Number of entries in BioLiP:

Chemical formula:

C15 H15 N

InChI:

InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1

InChIKey:

HKHCSWPSUSWGLI-CABCVRRESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)C34CC3CNC4
CACTVS 3.385	C1NC[C@@]2(C[C@H]12)c3ccc4ccccc4c3
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)[C@@]34C[C@@H]3CNC4
CACTVS 3.385	C1NC[C]2(C[CH]12)c3ccc4ccccc4c3

Name:

(1~{R},5~{S})-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane;
Centanafadine

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).