SEQ2FUN

BioLiP

PDB CCD ID: JWD
Number of entries in BioLiP: 4
Chemical formula: C19 H17 N3 O2
InChI: InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
InChIKey: FMFYPUWWJKSKRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C
OpenEye OEToolkits 2.0.6Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C
ACDLabs 12.01c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C
Name:5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
ChEMBL: CHEMBL4514160
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).