Browse entries in the PDBbind-CN Database

Display Options: Structure:  

Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 1t46
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3g0eRCSB PDB    PDBbind336aa, >3G0E:A|PDBID|CHAIN|... *
3g0fRCSB PDB    PDBbind336aa, >3G0F:B|PDBID|CHAIN|... at 99%
4hvsRCSB PDB    PDBbind335aa, >4HVS:A|PDBID|CHAIN|... at 92%
4u0iRCSB PDB    PDBbind315aa, >4U0I:A|PDBID|CHAIN|... at 100%
6gqmRCSB PDB    PDBbind328aa, >6GQM:B|PDBID|CHAIN|... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1iepRCSB PDB    PDBbindSTI
1xbbRCSB PDB    PDBbindSTI
2hyyRCSB PDB    PDBbindSTI
2oiqRCSB PDB    PDBbindSTI
2pl0RCSB PDB    PDBbindSTI
3gvuRCSB PDB    PDBbindSTI
3hecRCSB PDB    PDBbindSTI
4bkjRCSB PDB    PDBbindSTI
5mqtRCSB PDB    PDBbindSTI

Entry Information
PDB ID1t46
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand NameSTI
EC.Number E.C.
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=0.37uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J. Med. Chem., Vol.54, pp.1347-1355
Ligand Properties
Formula C29H33N7O
Molecular Weight 495.619
Exact Mass 495.275
No. of atoms 70
No. of bonds 74
Polar Surface Area 88.68
LOGP Value 3.52      (Computed with XLOGP3)
5.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P10721  
Entrez Gene IDNCBI Entrez Gene ID: 3815  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader:      Tel: +86-21-54925128      Webmaster:
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China