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Related entries of code: 2f4j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1iepRCSB PDB    PDBbind293aa, >1IEP:B|PDBID|CHAIN|... at 96%
2hznRCSB PDB    PDBbind293aa, >2HZN:A|PDBID|CHAIN|... at 96%
2e2bRCSB PDB    PDBbind293aa, >2E2B:B|PDBID|CHAIN|... at 96%
2hiwRCSB PDB    PDBbind287aa, >2HIW:B|PDBID|CHAIN|... at 98%
2hyyRCSB PDB    PDBbind273aa, >2HYY:D|PDBID|CHAIN|... at 99%
2hz0RCSB PDB    PDBbind270aa, >2HZ0:B|PDBID|CHAIN|... at 99%
2hz4RCSB PDB    PDBbind273aa, >2HZ4:C|PDBID|CHAIN|... at 99%
2hziRCSB PDB    PDBbind277aa, >2HZI:B|PDBID|CHAIN|... at 98%
2qohRCSB PDB    PDBbind288aa, >2QOH:B|PDBID|CHAIN|... at 98%
2v7aRCSB PDB    PDBbind286aa, >2V7A:B|PDBID|CHAIN|... at 98%
2z60RCSB PDB    PDBbind288aa, >2Z60:A|PDBID|CHAIN|... at 98%
3ik3RCSB PDB    PDBbind288aa, >3IK3:B|PDBID|CHAIN|... at 98%
3k5vRCSB PDB    PDBbind293aa, >3K5V:B|PDBID|CHAIN|... at 96%
3kf4RCSB PDB    PDBbind288aa, >3KF4:B|PDBID|CHAIN|... at 98%
3kfaRCSB PDB    PDBbind288aa, >3KFA:B|PDBID|CHAIN|... at 98%
3ms9RCSB PDB    PDBbind293aa, >3MS9:B|PDBID|CHAIN|... at 96%
3mssRCSB PDB    PDBbind293aa, >3MSS:D|PDBID|CHAIN|... at 96%
3oxzRCSB PDB    PDBbind284aa, >3OXZ:A|PDBID|CHAIN|... at 99%
3oy3RCSB PDB    PDBbind284aa, >3OY3:B|PDBID|CHAIN|... at 99%
3pyyRCSB PDB    PDBbind298aa, >3PYY:B|PDBID|CHAIN|... at 100%
3qriRCSB PDB    PDBbind277aa, >3QRI:B|PDBID|CHAIN|... at 97%
3qrjRCSB PDB    PDBbind277aa, >3QRJ:B|PDBID|CHAIN|... at 97%
3qrkRCSB PDB    PDBbind277aa, >3QRK:A|PDBID|CHAIN|... at 97%
3ue4RCSB PDB    PDBbind287aa, >3UE4:B|PDBID|CHAIN|... at 98%
4twpRCSB PDB    PDBbind271aa, >4TWP:B|PDBID|CHAIN|... at 99%
4wa9RCSB PDB    PDBbind286aa, >4WA9:B|PDBID|CHAIN|... at 99%
4yc8RCSB PDB    PDBbind287aa, >4YC8:B|PDBID|CHAIN|... at 98%
5hu9RCSB PDB    PDBbind277aa, >5HU9:A|PDBID|CHAIN|... at 98%
6hd4RCSB PDB    PDBbind293aa, >6HD4:B|PDBID|CHAIN|... at 96%
6hd6RCSB PDB    PDBbind293aa, >6HD6:B|PDBID|CHAIN|... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2xynRCSB PDB    PDBbindVX6
3ambRCSB PDB    PDBbindVX6
3e5aRCSB PDB    PDBbindVX6
4af3RCSB PDB    PDBbindVX6

Entry Information
PDB ID2f4j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameproto-oncogene tyrosine-protein kinase abl1
Ligand NameVX6
EC.Number E.C.
Resolution 1.91(Å)
Affinity (Kd/Ki/IC50)IC50=2.2uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary ReferenceCancer Res.v66;pp.1007-1014
Ligand Properties
Formula C23H29N8OS
Molecular Weight 465.594
Exact Mass 465.219
No. of atoms 62
No. of bonds 66
Polar Surface Area 128.57
LOGP Value 3.41      (Computed with XLOGP3)
3.87      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
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): P00519  
Entrez Gene IDNCBI Entrez Gene ID: 25  
ASDInformation of known allosteric effects of PDB entries

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