Browse entries in the PDBbind-CN Database

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Related entries of code: 3wym
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2o8hRCSB PDB    PDBbind362aa, >2O8H_1|Chain... at 100%
2ovvRCSB PDB    PDBbind362aa, >2OVV_1|Chain... at 100%
2ovyRCSB PDB    PDBbind362aa, >2OVY_1|Chain... at 100%
2weyRCSB PDB    PDBbind343aa, >2WEY_1|Chains... at 91%
2y0jRCSB PDB    PDBbind340aa, >2Y0J_1|Chains... at 91%
3hqwRCSB PDB    PDBbind376aa, >3HQW_1|Chain... at 100%
3hqyRCSB PDB    PDBbind380aa, >3HQY_1|Chain... *
3hqzRCSB PDB    PDBbind380aa, >3HQZ_1|Chain... at 100%
3hr1RCSB PDB    PDBbind380aa, >3HR1_1|Chain... at 100%
3lxgRCSB PDB    PDBbind308aa, >3LXG_1|Chain... at 100%
3qpnRCSB PDB    PDBbind362aa, >3QPN_1|Chain... at 100%
3qpoRCSB PDB    PDBbind362aa, >3QPO_1|Chain... at 100%
3qppRCSB PDB    PDBbind362aa, >3QPP_1|Chain... at 100%
3sn7RCSB PDB    PDBbind345aa, >3SN7_1|Chains... at 90%
3sniRCSB PDB    PDBbind345aa, >3SNI_1|Chains... at 90%
3snlRCSB PDB    PDBbind345aa, >3SNL_1|Chains... at 90%
3ui7RCSB PDB    PDBbind333aa, >3UI7_1|Chains... at 92%
3uuoRCSB PDB    PDBbind337aa, >3UUO_1|Chains... at 91%
3wi2RCSB PDB    PDBbind345aa, >3WI2_1|Chains... at 90%
3ws8RCSB PDB    PDBbind345aa, >3WS8_1|Chains... at 90%
3ws9RCSB PDB    PDBbind345aa, >3WS9_1|Chains... at 90%
3wykRCSB PDB    PDBbind338aa, >3WYK_1|Chains... at 92%
3wylRCSB PDB    PDBbind338aa, >3WYL_1|Chains... at 92%
4aelRCSB PDB    PDBbind344aa, >4AEL_1|Chains... at 90%
4ddlRCSB PDB    PDBbind338aa, >4DDL_1|Chains... at 92%
4fcbRCSB PDB    PDBbind345aa, >4FCB_1|Chains... at 90%
4fcdRCSB PDB    PDBbind345aa, >4FCD_1|Chains... at 90%
4heuRCSB PDB    PDBbind318aa, >4HEU_1|Chains... at 96%
4hf4RCSB PDB    PDBbind318aa, >4HF4_1|Chains... at 96%
4lkqRCSB PDB    PDBbind345aa, >4LKQ_1|Chains... at 91%
4lljRCSB PDB    PDBbind345aa, >4LLJ_1|Chains... at 91%
4llkRCSB PDB    PDBbind345aa, >4LLK_1|Chains... at 91%
4llpRCSB PDB    PDBbind345aa, >4LLP_1|Chains... at 91%
4llxRCSB PDB    PDBbind345aa, >4LLX_1|Chains... at 91%
4lm0RCSB PDB    PDBbind345aa, >4LM0_1|Chains... at 91%
4lm1RCSB PDB    PDBbind345aa, >4LM1_1|Chains... at 91%
4lm2RCSB PDB    PDBbind345aa, >4LM2_1|Chains... at 91%
4lm3RCSB PDB    PDBbind345aa, >4LM3_1|Chains... at 91%
4lm4RCSB PDB    PDBbind345aa, >4LM4_1|Chains... at 91%
4mrwRCSB PDB    PDBbind345aa, >4MRW_1|Chains... at 91%
4mrzRCSB PDB    PDBbind345aa, >4MRZ_1|Chains... at 91%
4ms0RCSB PDB    PDBbind345aa, >4MS0_1|Chains... at 91%
4msaRCSB PDB    PDBbind345aa, >4MSA_1|Chains... at 91%
4mscRCSB PDB    PDBbind345aa, >4MSC_1|Chains... at 91%
4mseRCSB PDB    PDBbind345aa, >4MSE_1|Chains... at 91%
4msnRCSB PDB    PDBbind345aa, >4MSN_1|Chains... at 91%
4muwRCSB PDB    PDBbind351aa, >4MUW_1|Chains... at 91%
4mvhRCSB PDB    PDBbind351aa, >4MVH_1|Chains... at 91%
4p0nRCSB PDB    PDBbind338aa, >4P0N_1|Chains... at 92%
4p1rRCSB PDB    PDBbind338aa, >4P1R_1|Chains... at 92%
4phwRCSB PDB    PDBbind351aa, >4PHW_1|Chains... at 91%
4tpmRCSB PDB    PDBbind351aa, >4TPM_1|Chains... at 91%
4tppRCSB PDB    PDBbind351aa, >4TPP_1|Chains... at 91%
4wn1RCSB PDB    PDBbind345aa, >4WN1_1|Chains... at 90%
4xy2RCSB PDB    PDBbind345aa, >4XY2_1|Chains... at 90%
4yqhRCSB PDB    PDBbind321aa, >4YQH_1|Chains... at 95%
4ys7RCSB PDB    PDBbind322aa, >4YS7_1|Chains... at 95%
4zo5RCSB PDB    PDBbind323aa, >4ZO5_1|Chains... at 94%
5axpRCSB PDB    PDBbind338aa, >5AXP_1|Chains... at 92%
5axqRCSB PDB    PDBbind338aa, >5AXQ_1|Chains... at 92%
5b4kRCSB PDB    PDBbind338aa, >5B4K_1|Chains... at 92%
5b4lRCSB PDB    PDBbind338aa, >5B4L_1|Chains... at 92%
5c1wRCSB PDB    PDBbind362aa, >5C1W_1|Chains... at 90%
5c28RCSB PDB    PDBbind362aa, >5C28_1|Chains... at 90%
5c29RCSB PDB    PDBbind362aa, >5C29_1|Chains... at 90%
5c2aRCSB PDB    PDBbind362aa, >5C2A_1|Chains... at 90%
5c2eRCSB PDB    PDBbind362aa, >5C2E_1|Chains... at 90%
5c2hRCSB PDB    PDBbind362aa, >5C2H_1|Chains... at 90%
5dh4RCSB PDB    PDBbind345aa, >5DH4_1|Chains... at 90%
5dh5RCSB PDB    PDBbind345aa, >5DH5_1|Chains... at 90%
5ediRCSB PDB    PDBbind320aa, >5EDI_2|Chain... at 96%
5i2rRCSB PDB    PDBbind318aa, >5I2R_1|Chains... at 95%
5uwfRCSB PDB    PDBbind344aa, >5UWF_1|Chains... at 90%
6mscRCSB PDB    PDBbind332aa, >6MSC_1|Chains... at 93%
6msaRCSB PDB    PDBbind332aa, >6MSA_1|Chains... at 93%
6ke0RCSB PDB    PDBbind345aa, >6KE0_1|Chains... at 90%
6kdzRCSB PDB    PDBbind345aa, >6KDZ_1|Chains... at 90%
6kdxRCSB PDB    PDBbind345aa, >6KDX_1|Chains... at 90%
6k9uRCSB PDB    PDBbind311aa, >6K9U_1|Chain... at 99%
6ijiRCSB PDB    PDBbind324aa, >6IJI_1|Chains... at 94%
6ijhRCSB PDB    PDBbind343aa, >6IJH_1|Chains... at 91%
5znlRCSB PDB    PDBbind323aa, >5ZNL_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3wym
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecatalytic domain of PDE10A
Ligand Name3K9
EC.Number E.C.3.1.4.17
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.30nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J. Med. Chem. Vol. 57, 9627-9643
Ligand Properties
Formula C23H17FN6O2
Molecular Weight 428.418
Exact Mass 428.140
No. of atoms 49
No. of bonds 53
Polar Surface Area 79.76
LOGP Value 3.77      (Computed with XLOGP3)
3.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
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): Q9Y233  
Entrez Gene IDNCBI Entrez Gene ID: 10846  
ASDInformation of known allosteric effects of PDB entries
 
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