SEQ2FUN

BioLiP

PDB CCD ID: X5N
Number of entries in BioLiP: 2
Chemical formula: C19 H19 N5 O2
InChI: InChI=1S/C19H19N5O2/c25-18-12-26-16-5-4-14(15-11-21-17-3-1-2-10-23(15)17)22-19(16)24(18)13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9,12H2
InChIKey: SQOLXUGRJNPDOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)C5CCNCC5
CACTVS 3.385O=C1COc2ccc(nc2N1C3CCNCC3)c4cnc5ccccn45
ACDLabs 12.01O=C1COc2ccc(nc2N1C1CCNCC1)c1cnc2ccccn21
Name:(6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
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).