SEQ2FUN

BioLiP

PDB CCD ID: UUX
Number of entries in BioLiP: 2
Chemical formula: C24 H25 N5
InChI: InChI=1S/C24H25N5/c1-16-19(15-17-11-7-5-8-12-17)25-22(24(2,3)4)21(23-26-28-29-27-23)20(16)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3,(H,26,27,28,29)
InChIKey: YWCRLYHHKHCFRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52CC(C)(C)c1nc(Cc2ccccc2)c(C)c(c1c1nnn[NH]1)c1ccccc1
CACTVS 3.385Cc1c(Cc2ccccc2)nc(c(c3[nH]nnn3)c1c4ccccc4)C(C)(C)C
OpenEye OEToolkits 3.1.0.0Cc1c(nc(c(c1c2ccccc2)c3[nH]nnn3)C(C)(C)C)Cc4ccccc4
Name:(5M)-2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine
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).