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BioLiP

PDB CCD ID: URO
Number of entries in BioLiP: 6
Chemical formula: C6 H6 N2 O2
InChI: InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey: LOIYMIARKYCTBW-OWOJBTEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)C=Cc1c[nH]cn1
ACDLabs 10.04O=C(O)\C=C\c1ncnc1
CACTVS 3.341OC(=O)\C=C\c1c[nH]cn1
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)C=CC(=O)O
Name:(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID
ChEMBL: CHEMBL1236602
DrugBank: DB01971
ZINC: ZINC000034633903
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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