Browse entries in the PDBbind-CN Database

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Related entries of code: 2qlj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1f1jRCSB PDB    PDBbind305aa, >1F1J_1|Chains... *
2ql5RCSB PDB    PDBbind97aa, >2QL5_2|Chains... at 100%
2ql7RCSB PDB    PDBbind97aa, >2QL7_2|Chains... at 100%
2ql9RCSB PDB    PDBbind97aa, >2QL9_2|Chains... at 100%
2qlbRCSB PDB    PDBbind97aa, >2QLB_2|Chains... at 100%
2qlfRCSB PDB    PDBbind173aa, >2QLF_1|Chains... at 99%
3ibcRCSB PDB    PDBbind97aa, >3IBC_2|Chains... at 100%
4feaRCSB PDB    PDBbind247aa, >4FEA_1|Chains... at 99%
4jj8RCSB PDB    PDBbind255aa, >4JJ8_1|Chains... at 96%
5v6uRCSB PDB    PDBbind303aa, >5V6U_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1apvRCSB PDB    PDBbind5-mer
1apwRCSB PDB    PDBbind5-mer
1b6jRCSB PDB    PDBbind5-mer
1bhfRCSB PDB    PDBbind5-mer
1cpiRCSB PDB    PDBbind5-mer
1f1jRCSB PDB    PDBbind5-mer
1f9eRCSB PDB    PDBbind5-mer
1fchRCSB PDB    PDBbind5-mer
1fivRCSB PDB    PDBbind5-mer
1fyrRCSB PDB    PDBbind5-mer
1gnyRCSB PDB    PDBbind5-mer
1gu3RCSB PDB    PDBbind5-mer
1h5vRCSB PDB    PDBbind5-mer
1h9lRCSB PDB    PDBbind5-mer
1hefRCSB PDB    PDBbind5-mer
1iauRCSB PDB    PDBbind5-mer
1jq8RCSB PDB    PDBbind5-mer
1jq9RCSB PDB    PDBbind5-mer
1k9qRCSB PDB    PDBbind5-mer
1m7iRCSB PDB    PDBbind5-mer
1mf4RCSB PDB    PDBbind5-mer
1mhwRCSB PDB    PDBbind5-mer
1nh0RCSB PDB    PDBbind5-mer
1ny2RCSB PDB    PDBbind5-mer
1o9dRCSB PDB    PDBbind5-mer
1p02RCSB PDB    PDBbind5-mer
1p03RCSB PDB    PDBbind5-mer
1p04RCSB PDB    PDBbind5-mer
1p05RCSB PDB    PDBbind5-mer
1p06RCSB PDB    PDBbind5-mer
1p10RCSB PDB    PDBbind5-mer
1pauRCSB PDB    PDBbind5-mer
1qm5RCSB PDB    PDBbind5-mer
1qtnRCSB PDB    PDBbind5-mer
1shdRCSB PDB    PDBbind5-mer
1t37RCSB PDB    PDBbind5-mer
1tmbRCSB PDB    PDBbind5-mer
1w9uRCSB PDB    PDBbind5-mer
1w9vRCSB PDB    PDBbind5-mer
1wawRCSB PDB    PDBbind5-mer
1wb0RCSB PDB    PDBbind5-mer
1ym4RCSB PDB    PDBbind5-mer
1zm6RCSB PDB    PDBbind5-mer
2bcdRCSB PDB    PDBbind5-mer
2ce9RCSB PDB    PDBbind5-mer
2fguRCSB PDB    PDBbind5-mer
2fgvRCSB PDB    PDBbind5-mer
2h5dRCSB PDB    PDBbind5-mer
2h5iRCSB PDB    PDBbind5-mer
2h5jRCSB PDB    PDBbind5-mer
2j9aRCSB PDB    PDBbind5-mer
2k1qRCSB PDB    PDBbind5-mer
2l6jRCSB PDB    PDBbind5-mer
2lprRCSB PDB    PDBbind5-mer
2m0uRCSB PDB    PDBbind5-mer
2m0vRCSB PDB    PDBbind5-mer
2pcuRCSB PDB    PDBbind5-mer
2ql5RCSB PDB    PDBbind5-mer
2ql7RCSB PDB    PDBbind5-mer
2ql9RCSB PDB    PDBbind5-mer
2qlbRCSB PDB    PDBbind5-mer
2qlfRCSB PDB    PDBbind5-mer
3atwRCSB PDB    PDBbind5-mer
3aycRCSB PDB    PDBbind5-mer
3c88RCSB PDB    PDBbind5-mer
3c89RCSB PDB    PDBbind5-mer
3c8aRCSB PDB    PDBbind5-mer
3c8bRCSB PDB    PDBbind5-mer
3chfRCSB PDB    PDBbind5-mer
3e7aRCSB PDB    PDBbind5-mer
3gjqRCSB PDB    PDBbind5-mer
3gjsRCSB PDB    PDBbind5-mer
3gjtRCSB PDB    PDBbind5-mer
3ibcRCSB PDB    PDBbind5-mer
3iqgRCSB PDB    PDBbind5-mer
3iqhRCSB PDB    PDBbind5-mer
3iqiRCSB PDB    PDBbind5-mer
3jzhRCSB PDB    PDBbind5-mer
3k05RCSB PDB    PDBbind5-mer
3k0hRCSB PDB    PDBbind5-mer
3k15RCSB PDB    PDBbind5-mer
3lprRCSB PDB    PDBbind5-mer
3mp1RCSB PDB    PDBbind5-mer
3ninRCSB PDB    PDBbind5-mer
3nzwRCSB PDB    PDBbind5-mer
3nzxRCSB PDB    PDBbind5-mer
3ov1RCSB PDB    PDBbind5-mer
3oveRCSB PDB    PDBbind5-mer
3oypRCSB PDB    PDBbind5-mer
3qw5RCSB PDB    PDBbind5-mer
3qw6RCSB PDB    PDBbind5-mer
3qw7RCSB PDB    PDBbind5-mer
3qw8RCSB PDB    PDBbind5-mer
3r7bRCSB PDB    PDBbind5-mer
3r7nRCSB PDB    PDBbind5-mer
3s8lRCSB PDB    PDBbind5-mer
3s8nRCSB PDB    PDBbind5-mer
3s8oRCSB PDB    PDBbind5-mer
3sxuRCSB PDB    PDBbind5-mer
3t6bRCSB PDB    PDBbind5-mer
3t6jRCSB PDB    PDBbind5-mer
3th0RCSB PDB    PDBbind5-mer
3u1iRCSB PDB    PDBbind5-mer
3u4wRCSB PDB    PDBbind5-mer
3vb4RCSB PDB    PDBbind5-mer
3vb5RCSB PDB    PDBbind5-mer
3vb7RCSB PDB    PDBbind5-mer
3wqvRCSB PDB    PDBbind5-mer
4czsRCSB PDB    PDBbind5-mer
4d8iRCSB PDB    PDBbind5-mer
4dktRCSB PDB    PDBbind5-mer
4estRCSB PDB    PDBbind5-mer
4gm3RCSB PDB    PDBbind5-mer
4gm8RCSB PDB    PDBbind5-mer
4i9cRCSB PDB    PDBbind5-mer
4j78RCSB PDB    PDBbind5-mer
4j81RCSB PDB    PDBbind5-mer
4j82RCSB PDB    PDBbind5-mer
4j84RCSB PDB    PDBbind5-mer
4k3mRCSB PDB    PDBbind5-mer
4kvmRCSB PDB    PDBbind5-mer
4l6tRCSB PDB    PDBbind5-mer
4lteRCSB PDB    PDBbind5-mer
4omcRCSB PDB    PDBbind5-mer
4omdRCSB PDB    PDBbind5-mer
4pryRCSB PDB    PDBbind5-mer
4ps0RCSB PDB    PDBbind5-mer
4ps1RCSB PDB    PDBbind5-mer
4q6fRCSB PDB    PDBbind5-mer
4rcpRCSB PDB    PDBbind5-mer
4rspRCSB PDB    PDBbind5-mer
4rydRCSB PDB    PDBbind5-mer
4sgaRCSB PDB    PDBbind5-mer
4whhRCSB PDB    PDBbind5-mer
4whlRCSB PDB    PDBbind5-mer
4wvsRCSB PDB    PDBbind5-mer
4wvuRCSB PDB    PDBbind5-mer
4x13RCSB PDB    PDBbind5-mer
4x9wRCSB PDB    PDBbind5-mer
4yecRCSB PDB    PDBbind5-mer
4yv8RCSB PDB    PDBbind5-mer
4z5wRCSB PDB    PDBbind5-mer
4z7qRCSB PDB    PDBbind5-mer
4zroRCSB PDB    PDBbind5-mer
5axiRCSB PDB    PDBbind5-mer
5bmmRCSB PDB    PDBbind5-mer
5btrRCSB PDB    PDBbind5-mer
5e3aRCSB PDB    PDBbind5-mer
5e8fRCSB PDB    PDBbind5-mer
5eldRCSB PDB    PDBbind5-mer
5eleRCSB PDB    PDBbind5-mer
5elfRCSB PDB    PDBbind5-mer
5f5bRCSB PDB    PDBbind5-mer
5h7hRCSB PDB    PDBbind5-mer
5icvRCSB PDB    PDBbind5-mer
5jr6RCSB PDB    PDBbind5-mer
5lprRCSB PDB    PDBbind5-mer
5n99RCSB PDB    PDBbind5-mer
5nwiRCSB PDB    PDBbind5-mer
5nwkRCSB PDB    PDBbind5-mer
5ttwRCSB PDB    PDBbind5-mer
5x54RCSB PDB    PDBbind5-mer
5yc1RCSB PDB    PDBbind5-mer
5zobRCSB PDB    PDBbind5-mer
6ax4RCSB PDB    PDBbind5-mer
6b5qRCSB PDB    PDBbind5-mer
6eqvRCSB PDB    PDBbind5-mer
6eqwRCSB PDB    PDBbind5-mer
6lprRCSB PDB    PDBbind5-mer
6mubRCSB PDB    PDBbind5-mer
7lprRCSB PDB    PDBbind5-mer
8lprRCSB PDB    PDBbind5-mer
9lprRCSB PDB    PDBbind5-mer
6hzbRCSB PDB    PDBbind5-mer
6hzaRCSB PDB    PDBbind5-mer
6hv2RCSB PDB    PDBbind5-mer
6dn6RCSB PDB    PDBbind5-mer
Entry Information
PDB ID2qlj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCaspase-7 (chain A)
Ligand Name5-mer
EC.Number E.C.3.4.22.60
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=4.4uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Febs J. 274: 4752-4765
Ligand Properties
Formula C26H32N7O8
Molecular Weight 570.574
Exact Mass 570.231
No. of atoms 73
No. of bonds 75
Polar Surface Area 251.08
LOGP Value -0.84      (Computed with XLOGP3)
-0.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 15
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): P55210  
Entrez Gene IDNCBI Entrez Gene ID: 840  
ASDInformation of known allosteric effects of PDB entries
 
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