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BioLiP

PDB CCD ID: LMW
Number of entries in BioLiP: 2
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:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CCN(CCO)c1ccc(N)cc1
OpenEye OEToolkits 2.0.7CCN(CCO)c1ccc(cc1)N
Name:2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
ZINC: ZINC000000404661
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).
  • 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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