SEQ2FUN

BioLiP

PDB CCD ID: N70
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N4 O2
InChI: InChI=1S/C17H16N4O2/c1-11-10-16(19-12-2-6-14(22)7-3-12)21-17(18-11)20-13-4-8-15(23)9-5-13/h2-10,22-23H,1H3,(H2,18,19,20,21)
InChIKey: ZGISWAPMFGULSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(Nc2ccc(O)cc2)nc(Nc3ccc(O)cc3)n1
OpenEye OEToolkits 2.0.7Cc1cc(nc(n1)Nc2ccc(cc2)O)Nc3ccc(cc3)O
Name:4-[[2-[(4-hydroxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]phenol
ChEMBL: CHEMBL522599
ZINC: ZINC000001607983
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).