SEQ2FUN

BioLiP

PDB CCD ID: FFU
Number of entries in BioLiP: 1
Chemical formula: C17 H20 F2 N2 O
InChI: InChI=1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
InChIKey: UATYSFRIVIHVKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C
CACTVS 3.385CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc(F)c3c2
Name:N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide
ChEMBL: CHEMBL3086112
ZINC: ZINC000103285435
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).