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BioLiP

PDB CCD ID: LBI
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O2
InChI: InChI=1S/C10H9NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-6,11H,1H3
InChIKey: BMUMJEKBMVREKT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc2c1cc([nH]2)C=O
ACDLabs 12.01COc1cccc2[NH]c(cc21)C=O
CACTVS 3.385COc1cccc2[nH]c(C=O)cc12
Name:4-methoxy-1H-indole-2-carbaldehyde
ZINC: ZINC000039168460
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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