SEQ2FUN

BioLiP

PDB CCD ID: A1BPJ
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3 O2
InChI: InChI=1S/C15H15N3O2/c1-10-2-3-12-13(7-17-14(12)6-10)15(19)16-5-4-11-8-20-9-18-11/h2-3,6-9,17H,4-5H2,1H3,(H,16,19)
InChIKey: LZYMZWBOIHZTRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1ccc2c(c1)[nH]cc2C(=O)NCCc3cocn3
ACDLabs 14.52Cc1cc2[NH]cc(C(=O)NCCc3cocn3)c2cc1
CACTVS 3.385Cc1ccc2c([nH]cc2C(=O)NCCc3cocn3)c1
Name:6-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indole-3-carboxamide
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).