SEQ2FUN

BioLiP

PDB CCD ID: NVK
Number of entries in BioLiP: 4
Chemical formula: C17 H13 N5 O2
InChI: InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKey: AKMNUCBQGHFICM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
OpenEye OEToolkits 2.0.7Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4
Name:1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
ChEMBL: CHEMBL291536
ZINC: ZINC000000008794
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).