SEQ2FUN

BioLiP

PDB CCD ID: MU5
Number of entries in BioLiP: 2
Chemical formula: C20 H23 N5 O2
InChI: InChI=1S/C20H23N5O2/c26-19(23-16-12-14-6-2-3-7-15(14)13-16)17-18(22-9-8-21-17)24-20(27)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-13H2,(H,23,26)(H,22,24,27)
InChIKey: AOICKOCLMIPLFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4
CACTVS 3.385O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)N4CCCCC4
Name:~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-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).