SEQ2FUN

BioLiP

PDB CCD ID: 8M5
Number of entries in BioLiP: 4
Chemical formula: C16 H14 N2 O
InChI: InChI=1S/C16H14N2O/c1-18-11-14(13-9-5-6-10-15(13)18)16(19)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,19)
InChIKey: OEZFAXRACDZTJB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3
ACDLabs 12.01O=C(c2c1ccccc1n(c2)C)Nc3ccccc3
CACTVS 3.385Cn1cc(C(=O)Nc2ccccc2)c3ccccc13
Name:1-methyl-N-phenyl-indole-3-carboxamide
ChEMBL: CHEMBL3989267
ZINC: ZINC000007913991
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).