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BioLiP

PDB CCD ID: A1IM4
Number of entries in BioLiP: 0
Chemical formula: C7 H6 N2 O2
InChI: InChI=1S/C7H6N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-4,8H,(H,10,11)/b8-4+
InChIKey: OKIFEJSCTQRTQM-XBXARRHUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C/c1cc(ccn1)C(=O)O
CACTVS 3.385OC(=O)c1ccnc(C=N)c1
OpenEye OEToolkits 2.0.7c1cnc(cc1C(=O)O)C=N
Name:2-(iminomethyl)pyridine-4-carboxylic acid
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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