SEQ2FUN

BioLiP

PDB CCD ID: BJ6
Number of entries in BioLiP: 2
Chemical formula: C18 H15 N O3
InChI: InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
InChIKey: OFPXSFXSNFPTHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3ccccc3
CACTVS 3.385OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3
Name:3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
ChEMBL: CHEMBL1071
DrugBank: DB00991
ZINC: ZINC000049643479
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).