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BioLiP

PDB CCD ID: IZC
Number of entries in BioLiP: 2
Chemical formula: C5 H6 N2 O2
InChI: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)
InChIKey: RMEAVYUMFHJQAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1N=CC(=N1)CC(=O)O
CACTVS 3.341OC(=O)CC1=NCN=C1
ACDLabs 10.04O=C(O)CC1=NCN=C1
Name:2H-IMIDAZOL-4-YLACETIC ACID;
IMIDAZOLE-4-ACETIC ACID
ZINC: ZINC000100077427
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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