SEQ2FUN

BioLiP

PDB CCD ID: F3E
Number of entries in BioLiP: 11
Chemical formula: C10 H9 N3
InChI: InChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKey: DMEGQEWPMXDRMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2ccnc(n2)N
CACTVS 3.385Nc1nccc(n1)c2ccccc2
Name:4-phenylpyrimidin-2-amine
ChEMBL: CHEMBL1834385
ZINC: ZINC000000400269
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).