BioLiP

PDB

BioLiP

PDB CCD ID:

A1EE8

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2 O

InChI:

InChI=1S/C13H20N2O/c1-14-7-4-8-15(10-9-14)13-6-3-2-5-12(13)11-16/h2-3,5-6,16H,4,7-11H2,1H3

InChIKey:

IYBDLMFCIKDQDV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1CCCN(CC1)c2ccccc2CO

Name:

[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol;
915707-55-0

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).