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BioLiP

PDB CCD ID: 3VY
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey: NAIPEFIYIQFVFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cn1cc(c2c1cccc2)CC(=O)O
CACTVS 3.385Cn1cc(CC(O)=O)c2ccccc12
ACDLabs 12.01O=C(O)Cc2c1ccccc1n(c2)C
Name:(1-methyl-1H-indol-3-yl)acetic acid
ChEMBL: CHEMBL85031
ZINC: ZINC000000269790
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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