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BioLiP

PDB CCD ID: NN9
Number of entries in BioLiP: 1
Chemical formula: C14 H16 N4 O
InChI: InChI=1S/C14H16N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)
InChIKey: WXURPGONLMDDHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN
CACTVS 3.385NCc1cccc(CNc2ccc(cn2)C(N)=O)c1
Name:6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
ChEMBL: CHEMBL5268916
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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