SEQ2FUN

BioLiP

PDB CCD ID: W70
Number of entries in BioLiP: 2
Chemical formula: C19 H16 N2 O5
InChI: InChI=1S/C19H16N2O5/c22-17-15(16(18(23)24)20-19(25)21-17)11-8-12-6-9-14(10-7-12)26-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,23,24)(H2,20,21,22,25)
InChIKey: DAKJFQHVJAEZED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)C1=C(CCc2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)N1
OpenEye OEToolkits 1.7.6c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O
Name:2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
ChEMBL: CHEMBL3990117
ZINC: ZINC000098209548
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).