SEQ2FUN

BioLiP

PDB CCD ID: IA7
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N7 S
InChI: InChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22)
InChIKey: VDKRFQKJPXSMOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3
CACTVS 3.385CC(C)(C)c1nc2nc(N)c(C#N)c(N)c2c(n1)c3sccn3
Name:5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
ChEMBL: CHEMBL3632777
ZINC: ZINC000263621116
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).