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Related entries of code: 6di1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3genRCSB PDB    PDBbind283aa, >3GEN_1|Chain... at 96%
3k54RCSB PDB    PDBbind283aa, >3K54_1|Chain... at 96%
3octRCSB PDB    PDBbind265aa, >3OCT_1|Chain... at 99%
3pixRCSB PDB    PDBbind274aa, >3PIX_1|Chain... at 100%
3piyRCSB PDB    PDBbind274aa, >3PIY_1|Chain... at 100%
3pizRCSB PDB    PDBbind274aa, >3PIZ_1|Chain... at 100%
3pj1RCSB PDB    PDBbind274aa, >3PJ1_1|Chain... at 100%
3pj2RCSB PDB    PDBbind274aa, >3PJ2_1|Chain... at 100%
3pj3RCSB PDB    PDBbind274aa, >3PJ3_1|Chain... at 100%
4nwmRCSB PDB    PDBbind263aa, >4NWM_1|Chains... at 99%
4ot6RCSB PDB    PDBbind283aa, >4OT6_1|Chain... at 95%
4otfRCSB PDB    PDBbind271aa, >4OTF_1|Chain... at 97%
4rfyRCSB PDB    PDBbind283aa, >4RFY_1|Chain... at 95%
4rfzRCSB PDB    PDBbind283aa, >4RFZ_1|Chain... at 95%
4rg0RCSB PDB    PDBbind283aa, >4RG0_1|Chain... at 95%
4rx5RCSB PDB    PDBbind271aa, >4RX5_1|Chain... at 97%
4yhfRCSB PDB    PDBbind278aa, >4YHF_1|Chains... at 98%
4z3vRCSB PDB    PDBbind283aa, >4Z3V_1|Chain... at 96%
4zlyRCSB PDB    PDBbind270aa, >4ZLY_1|Chain... at 100%
4zlzRCSB PDB    PDBbind270aa, >4ZLZ_1|Chain... at 100%
5bq0RCSB PDB    PDBbind283aa, >5BQ0_1|Chain... at 96%
5fbnRCSB PDB    PDBbind271aa, >5FBN_1|Chains... at 100%
5fboRCSB PDB    PDBbind271aa, >5FBO_1|Chain... at 100%
5j87RCSB PDB    PDBbind274aa, >5J87_1|Chains... at 99%
5jrsRCSB PDB    PDBbind267aa, >5JRS_1|Chains... at 99%
5kupRCSB PDB    PDBbind271aa, >5KUP_1|Chain... at 97%
5t18RCSB PDB    PDBbind267aa, >5T18_1|Chain... at 99%
5u9dRCSB PDB    PDBbind271aa, >5U9D_1|Chain... at 100%
5vgoRCSB PDB    PDBbind271aa, >5VGO_1|Chain... at 97%
5xyzRCSB PDB    PDBbind265aa, >5XYZ_1|Chains... at 99%
5zz4RCSB PDB    PDBbind268aa, >5ZZ4_1|Chains... at 98%
6di0RCSB PDB    PDBbind271aa, >6DI0_1|Chain... at 100%
6e4fRCSB PDB    PDBbind290aa, >6E4F_1|Chain... *
6o8iRCSB PDB    PDBbind269aa, >6O8I_1|Chain... at 100%
6nzmRCSB PDB    PDBbind280aa, >6NZM_1|Chains... at 97%
6nfiRCSB PDB    PDBbind268aa, >6NFI_1|Chain... at 100%
6nfhRCSB PDB    PDBbind271aa, >6NFH_1|Chain... at 100%
6n9pRCSB PDB    PDBbind271aa, >6N9P_1|Chain... at 100%
6mnyRCSB PDB    PDBbind276aa, >6MNY_1|Chains... at 97%
6j6mRCSB PDB    PDBbind269aa, >6J6M_1|Chain... at 99%
6hrtRCSB PDB    PDBbind283aa, >6HRT_1|Chain... at 95%
6hrpRCSB PDB    PDBbind283aa, >6HRP_1|Chain... at 95%
6ep9RCSB PDB    PDBbind283aa, >6EP9_1|Chain... at 95%
6blnRCSB PDB    PDBbind287aa, >6BLN_1|Chain... at 92%
6bkwRCSB PDB    PDBbind287aa, >6BKW_1|Chain... at 92%
6bikRCSB PDB    PDBbind287aa, >6BIK_1|Chain... at 92%
6omuRCSB PDB    PDBbind271aa, >6OMU_1|Chain... at 100%
6bkhRCSB PDB    PDBbind287aa, >6BKH_1|Chain... at 92%
6bkeRCSB PDB    PDBbind287aa, >6BKE_1|Chain... at 92%
6s90RCSB PDB    PDBbind266aa, >6S90_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 ID6di1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase BTK
Ligand NameGJD
EC.Number E.C.2.7.10.2
Resolution 1.1(Å)
Affinity (Kd/Ki/IC50)IC50=180nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Bioorg. Med. Chem. Lett. Vol. 28: pp. 3419-3424
Ligand Properties
Formula C12H16N6O2
Molecular Weight 276.294
Exact Mass 276.133
No. of atoms 36
No. of bonds 37
Polar Surface Area 127.23
LOGP Value -0.16      (Computed with XLOGP3)
0.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): Q06187  
Entrez Gene IDNCBI Entrez Gene ID: 695  
ASDInformation of known allosteric effects of PDB entries
 
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