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BioLiP

PDB CCD ID: V6M
Number of entries in BioLiP: 6
Chemical formula: C16 H13 N O2
InChI: InChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19)
InChIKey: OSOLISRTJWBBIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3
OpenEye OEToolkits 2.0.7Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O
ACDLabs 12.01c2(c(c1ccccc1)c3c(n2)c(ccc3)C)C(O)=O
Name:7-methyl-3-phenyl-1H-indole-2-carboxylic acid
ChEMBL: CHEMBL2314511
ZINC: ZINC000012650903
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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