BioLiP

PDB

BioLiP

PDB CCD ID:

MN2

Number of entries in BioLiP:

Chemical formula:

C11 H17 N2 O2

InChI:

InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1

InChIKey:

IHQRRZIPLZXOKB-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[NH3+])CNCCC(=O)O
CACTVS 3.341	[NH3+]Cc1ccc(CNCCC(O)=O)cc1
ACDLabs 10.04	O=C(O)CCNCc1ccc(cc1)C[NH3+]

Name:

1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE

DrugBank:

DB02960

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).