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BioLiP

PDB CCD ID: R2N
Number of entries in BioLiP: 2
Chemical formula: C10 H8 Br N O2
InChI: InChI=1S/C10H8BrNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey: GCGFIFNQFLLJIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cn1c2ccc(cc2cc1C(=O)O)Br
CACTVS 3.385Cn1c(cc2cc(Br)ccc12)C(O)=O
Name:5-bromo-1-methyl-1H-indole-2-carboxylic acid
ChEMBL: CHEMBL2314510
ZINC: ZINC000009482840
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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