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BioLiP Library

PDB CCD ID: A1IM8
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N3 O
InChI: InChI=1S/C9H13N3O/c1-11-9(13)8(10)6-7-2-4-12-5-3-7/h2-5,8H,6,10H2,1H3,(H,11,13)/t8-/m1/s1
InChIKey: LJVDSZALHNBLNR-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)[C@@H](Cc1ccncc1)N
CACTVS 3.385CNC(=O)[C@H](N)Cc1ccncc1
OpenEye OEToolkits 2.0.7CNC(=O)C(Cc1ccncc1)N
CACTVS 3.385CNC(=O)[CH](N)Cc1ccncc1
Name:(2~{R})-2-azanyl-~{N}-methyl-3-pyridin-4-yl-propanamide
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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