SEQ2FUN

BioLiP

PDB CCD ID: VOQ
Number of entries in BioLiP: 1
Chemical formula: C11 H19 N3 O2
InChI: InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3
InChIKey: RELIAECMPOCXRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CN(Cc1c(C)onc1C)C(=O)C(C)(C)N
OpenEye OEToolkits 2.0.7Cc1c(c(on1)C)CN(C)C(=O)C(C)(C)N
Name:N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
ZINC: ZINC000041665020
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).