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BioLiP

PDB CCD ID: YGH
Number of entries in BioLiP: 1
Chemical formula: C15 H19 F N2 O
InChI: InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
InChIKey: FJCRAYWNOXUYOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1ccc2[NH]cc(CCN3CCCC3)c2c1F
OpenEye OEToolkits 2.0.7COc1ccc2c(c1F)c(c[nH]2)CCN3CCCC3
CACTVS 3.385COc1ccc2[nH]cc(CCN3CCCC3)c2c1F
Name:4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole
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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