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BioLiP

PDB CCD ID: MIK
Number of entries in BioLiP: 0
Chemical formula: C12 H18 N4 O2
InChI: InChI=1S/C12H18N4O2/c13-10(12(17)18)3-1-2-6-16-11(14)9-4-7-15-8-5-9/h4-5,7-8,10H,1-3,6,13H2,(H2,14,16)(H,17,18)/t10-/m0/s1
InChIKey: PJJTVLHYIWKZDX-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N
ACDLabs 10.04O=C(O)C(N)CCCC/N=C(/c1ccncc1)N
CACTVS 3.341N[CH](CCCCN=C(N)c1ccncc1)C(O)=O
CACTVS 3.341N[C@@H](CCCCN=C(N)c1ccncc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cnccc1C(=NCCCCC(C(=O)O)N)N
Name:METHYL ISONICOTINIMIDATE LYSINE
ZINC: ZINC000006393769
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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