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BioLiP

PDB CCD ID: HLP
Number of entries in BioLiP: 2
Chemical formula: C9 H8 N2 O3
InChI: InChI=1S/C9H8N2O3/c12-9(13)8-2-1-7(14-8)5-11-4-3-10-6-11/h1-4,6H,5H2,(H,12,13)
InChIKey: NNJVURHBCVIUHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1Cn2ccnc2)C(=O)O
CACTVS 3.385OC(=O)c1oc(Cn2ccnc2)cc1
ACDLabs 12.01n1(cncc1)Cc2ccc(C(=O)O)o2
Name:5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid
ChEMBL: CHEMBL5198324
ZINC: ZINC000034925786
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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