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BioLiP

PDB CCD ID: CKH
Number of entries in BioLiP: 2
Chemical formula: C18 H17 F N2 O
InChI: InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKey: UXRKUKRXVWJFER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1ccccc1C(=O)NCCc3c2ccccc2nc3C
OpenEye OEToolkits 1.7.6Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F
CACTVS 3.370Cc1[nH]c2ccccc2c1CCNC(=O)c3ccccc3F
Name:2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
ZINC: ZINC000000140482
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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