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Related entries of code: 4jnm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2g96RCSB PDB    PDBbind491aa, >2G96_1|Chains... at 95%
2g97RCSB PDB    PDBbind491aa, >2G97_1|Chains... at 95%
2gvjRCSB PDB    PDBbind491aa, >2GVJ_1|Chains... at 100%
3dkjRCSB PDB    PDBbind484aa, >3DKJ_1|Chains... at 100%
3g8eRCSB PDB    PDBbind491aa, >3G8E_1|Chains... at 95%
4jr5RCSB PDB    PDBbind501aa, >4JR5_1|Chains... at 100%
4kfpRCSB PDB    PDBbind501aa, >4KFP_1|Chains... at 100%
4l4lRCSB PDB    PDBbind501aa, >4L4L_1|Chains... at 100%
4l4mRCSB PDB    PDBbind501aa, >4L4M_1|Chains... at 100%
4ltsRCSB PDB    PDBbind501aa, >4LTS_1|Chains... at 100%
4lwwRCSB PDB    PDBbind501aa, >4LWW_1|Chains... at 100%
4m6pRCSB PDB    PDBbind501aa, >4M6P_1|Chains... at 100%
4m6qRCSB PDB    PDBbind501aa, >4M6Q_1|Chains... at 100%
4n9bRCSB PDB    PDBbind501aa, >4N9B_1|Chains... at 100%
4n9cRCSB PDB    PDBbind501aa, >4N9C_1|Chains... at 100%
4n9dRCSB PDB    PDBbind501aa, >4N9D_1|Chains... at 100%
4n9eRCSB PDB    PDBbind501aa, >4N9E_1|Chains... at 100%
4o0zRCSB PDB    PDBbind501aa, >4O0Z_1|Chains... at 100%
4o10RCSB PDB    PDBbind501aa, >4O10_1|Chains... at 100%
4o12RCSB PDB    PDBbind501aa, >4O12_1|Chains... at 100%
4o13RCSB PDB    PDBbind501aa, >4O13_1|Chains... at 100%
4o15RCSB PDB    PDBbind501aa, >4O15_1|Chains... at 99%
4o1bRCSB PDB    PDBbind501aa, >4O1B_1|Chains... at 99%
4o1dRCSB PDB    PDBbind501aa, >4O1D_1|Chains... at 99%
4o28RCSB PDB    PDBbind501aa, >4O28_1|Chains... at 99%
5kitRCSB PDB    PDBbind491aa, >5KIT_1|Chains... at 100%
5upeRCSB PDB    PDBbind499aa, >5UPE_1|Chains... at 98%
5upfRCSB PDB    PDBbind499aa, >5UPF_1|Chains... at 98%
5wi0RCSB PDB    PDBbind491aa, >5WI0_1|Chains... at 100%
5wi1RCSB PDB    PDBbind491aa, >5WI1_1|Chains... at 100%
6pebRCSB PDB    PDBbind500aa, >6PEB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4jnm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNicotinamide phosphoribosyltransferase
Ligand Name1LJ
EC.Number E.C.2.4.2.12
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=3nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 3531-3538
Ligand Properties
Formula C19H18N4O3S
Molecular Weight 382.436
Exact Mass 382.110
No. of atoms 45
No. of bonds 47
Polar Surface Area 122.56
LOGP Value 1.80      (Computed with XLOGP3)
4.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): P43490  
Entrez Gene IDNCBI Entrez Gene ID: 10135  
ASDInformation of known allosteric effects of PDB entries
 
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