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BioLiP

PDB CCD ID: UUY
Number of entries in BioLiP: 2
Chemical formula: C8 H12 N2 O
InChI: InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3
InChIKey: MWGKOPUDDQZERY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1ccccc1N(C)CCO
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(CCO)c1ccccn1
Name:2-[methyl(pyridin-2-yl)amino]ethan-1-ol
ZINC: ZINC000000167422
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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