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BioLiP Library

PDB CCD ID: N1Y
Number of entries in BioLiP: 20
Chemical formula: C10 H11 Cl N4 O2
InChI: InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+
InChIKey: ALNDHUQPXHHNON-JXMROGBWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[O-][N+](=O)C=C1NCCN1Cc2ccc(Cl)nc2
ACDLabs 12.01[O-][N+](=O)/C=C1\NCCN1Cc2cnc(Cl)cc2
CACTVS 3.385[O-][N+](=O)\C=C\1NCCN\1Cc2ccc(Cl)nc2
OpenEye OEToolkits 1.7.6c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl
OpenEye OEToolkits 1.7.6c1cc(ncc1CN2CCNC2=C[N+](=O)[O-])Cl
Name:2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
ChEMBL: CHEMBL1391421
ZINC: ZINC000012733297
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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