BioLiP

PDB

BioLiP

PDB CCD ID:

LMW

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O

InChI:

InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3

InChIKey:

WFXLRLQSHRNHCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	CCN(CCO)c1ccc(N)cc1
OpenEye OEToolkits 2.0.7	CCN(CCO)c1ccc(cc1)N

Name:

2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol

ZINC:

ZINC000000404661

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).