SEQ2FUN

BioLiP

PDB CCD ID: GQ9
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl N6 O
InChI: InChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21)
InChIKey: UYTXWVZDCZPGRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N
Name:6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
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).