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BioLiP

PDB CCD ID: K06
Number of entries in BioLiP: 1
Chemical formula: C27 H29 N3 O3
InChI: InChI=1S/C27H29N3O3/c1-3-13-30-22-14-21(18-7-5-4-6-8-18)24(29-25(22)33-15-23(30)31)19-9-11-20(12-10-19)27(28)16-26(2,32)17-27/h4-12,14,32H,3,13,15-17,28H2,1-2H3/t26-,27-
InChIKey: TVEPNGFDBLRHKR-MCZWQBSQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCN1C(=O)COc2nc(c3ccc(cc3)[C@@]4(N)C[C@@](C)(O)C4)c(cc12)c5ccccc5
CACTVS 3.385CCCN1C(=O)COc2nc(c3ccc(cc3)[C]4(N)C[C](C)(O)C4)c(cc12)c5ccccc5
OpenEye OEToolkits 2.0.7CCCN1c2cc(c(nc2OCC1=O)c3ccc(cc3)C4(CC(C4)(C)O)N)c5ccccc5
Name:6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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