SEQ2FUN

BioLiP

PDB CCD ID: A1IU5
Number of entries in BioLiP: 2
Chemical formula: C16 H19 N5 O3
InChI: InChI=1S/C16H19N5O3/c22-15(19-12-4-7-17-8-5-12)6-9-18-16(23)20-14-10-13(24-21-14)11-2-1-3-11/h4-5,7-8,10-11H,1-3,6,9H2,(H,17,19,22)(H2,18,20,21,23)
InChIKey: NMBXMVUGPDIKRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnccc1NC(=O)CCNC(=O)Nc2cc(on2)C3CCC3
CACTVS 3.385O=C(CCNC(=O)Nc1cc(on1)C2CCC2)Nc3ccncc3
Name:3-[(5-cyclobutyl-1,2-oxazol-3-yl)carbamoylamino]-~{N}-pyridin-4-yl-propanamide
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).