SEQ2FUN

BioLiP

PDB CCD ID: 319
Number of entries in BioLiP: 1
Chemical formula: C20 H16 F2 N4 O3
InChI: InChI=1S/C20H16F2N4O3/c21-13-3-1-12(2-4-13)9-19(27)26-20(28)25-14-5-6-17(16(22)10-14)29-15-7-8-24-18(23)11-15/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28)
InChIKey: USBSTVPJNQLYEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F
ACDLabs 10.04Fc1ccc(cc1)CC(=O)NC(=O)Nc3ccc(Oc2ccnc(N)c2)c(F)c3
Name:N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
ChEMBL: CHEMBL527066
DrugBank: DB06995
ZINC: ZINC000020148999
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).