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BioLiP

PDB CCD ID: 4BY
Number of entries in BioLiP: 2
Chemical formula: C10 H9 N O2
InChI: InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey: DAITVOCMWPNFTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Cc1ccc2[nH]c(cc2c1)C(O)=O
ACDLabs 11.02O=C(O)c2cc1cc(ccc1n2)C
OpenEye OEToolkits 1.7.0Cc1ccc2c(c1)cc([nH]2)C(=O)O
Name:5-methyl-1H-indole-2-carboxylic acid
ChEMBL: CHEMBL23328
ZINC: ZINC000002508153
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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