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BioLiP

PDB CCD ID: MN2
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[NH3+])CNCCC(=O)O
CACTVS 3.341[NH3+]Cc1ccc(CNCCC(O)=O)cc1
ACDLabs 10.04O=C(O)CCNCc1ccc(cc1)C[NH3+]
Name:1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
DrugBank: DB02960
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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