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BioLiP

PDB CCD ID: FG4
Number of entries in BioLiP: 2
Chemical formula: C21 H17 N O6
InChI: InChI=1S/C21H17NO6/c1-26-15-6-7-17-14(9-15)10-18(22(17)11-20(23)24)21(25)27-12-16-8-13-4-2-3-5-19(13)28-16/h2-10H,11-12H2,1H3,(H,23,24)
InChIKey: CKGFVKXFHXZPEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3
CACTVS 3.352COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)OCc3oc4ccccc4c3
ACDLabs 11.02O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)OCc3oc2ccccc2c3
Name:{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid
ZINC: ZINC000058633681
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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