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Related entries of code: 2a14
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1aqiRCSB PDB    PDBbindSAH
1jqdRCSB PDB    PDBbindSAH
1nw7RCSB PDB    PDBbindSAH
1qanRCSB PDB    PDBbindSAH
1s4dRCSB PDB    PDBbindSAH
2h23RCSB PDB    PDBbindSAH
2qbuRCSB PDB    PDBbindSAH
2wr8RCSB PDB    PDBbindSAH
3lcuRCSB PDB    PDBbindSAH
3lgsRCSB PDB    PDBbindSAH
3p2eRCSB PDB    PDBbindSAH
3pb3RCSB PDB    PDBbindSAH
3qoxRCSB PDB    PDBbindSAH
3u81RCSB PDB    PDBbindSAH
3ujbRCSB PDB    PDBbindSAH
4au7RCSB PDB    PDBbindSAH
4jalRCSB PDB    PDBbindSAH
4pynRCSB PDB    PDBbindSAH
4pyoRCSB PDB    PDBbindSAH
4qdkRCSB PDB    PDBbindSAH
4r6wRCSB PDB    PDBbindSAH
4r6xRCSB PDB    PDBbindSAH
4xboRCSB PDB    PDBbindSAH
4ymhRCSB PDB    PDBbindSAH
5a7yRCSB PDB    PDBbindSAH
5d1nRCSB PDB    PDBbindSAH
5f2kRCSB PDB    PDBbindSAH
5fulRCSB PDB    PDBbindSAH
5wp5RCSB PDB    PDBbindSAH
5x62RCSB PDB    PDBbindSAH
5zu0RCSB PDB    PDBbindSAH
5zzwRCSB PDB    PDBbindSAH
6bm6RCSB PDB    PDBbindSAH
6mjfRCSB PDB    PDBbindSAH
6qe5RCSB PDB    PDBbindSAH
5zhjRCSB PDB    PDBbindSAH
5gutRCSB PDB    PDBbindSAH
6h1dRCSB PDB    PDBbindSAH
Entry Information
PDB ID2a14
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman Indolethylamine N-methyltransferase (INMT)
Ligand NameSAH
EC.Number E.C.2.1.1.49
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=2.0uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference (1983) J. Med. Chem., Vol.26, pp.1470-1477
Ligand Properties
Formula C14H21N6O5S
Molecular Weight 385.419
Exact Mass 385.129
No. of atoms 47
No. of bonds 49
Polar Surface Area 209.55
LOGP Value -3.47      (Computed with XLOGP3)
-1.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
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): O95050  
Entrez Gene IDNCBI Entrez Gene ID: 11185  
ASDInformation of known allosteric effects of PDB entries
 
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