SEQ2FUN

BioLiP

PDB CCD ID: A1L5O
Number of entries in BioLiP: 1
Chemical formula: C18 H24 N2 O
InChI: InChI=1S/C18H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)18(21)19-14-7-5-3-4-6-8-14/h9-11,14,20H,3-8H2,1-2H3,(H,19,21)
InChIKey: ANRDRZQBFPDAJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c2cc([nH]c2c1)C(=O)NC3CCCCCC3)C
CACTVS 3.385Cc1cc(C)c2cc([nH]c2c1)C(=O)NC3CCCCCC3
Name:N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
ChEMBL: CHEMBL2347953
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).