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BioLiP

PDB CCD ID: 9FE
Number of entries in BioLiP: 6
Chemical formula: C8 H5 Br N2 O2
InChI: InChI=1S/C8H5BrN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKey: RWQMEUDBXGKAER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1C(=O)O)c(n[nH]2)Br
CACTVS 3.385OC(=O)c1ccc2[nH]nc(Br)c2c1
Name:3-bromanyl-1~{H}-indazole-5-carboxylic acid
ZINC: ZINC000014983421
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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