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Related entries of code: 2x8i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nvqRCSB PDB    PDBbind289aa, >1NVQ:A|PDBID|CHAIN|... at 100%
1nvrRCSB PDB    PDBbind289aa, >1NVR:A|PDBID|CHAIN|... at 100%
1nvsRCSB PDB    PDBbind289aa, >1NVS:A|PDBID|CHAIN|... at 100%
2aypRCSB PDB    PDBbind269aa, >2AYP:A|PDBID|CHAIN|... at 100%
2br1RCSB PDB    PDBbind297aa, >2BR1:A|PDBID|CHAIN|... at 97%
2brbRCSB PDB    PDBbind297aa, >2BRB:A|PDBID|CHAIN|... at 97%
2brgRCSB PDB    PDBbind297aa, >2BRG:A|PDBID|CHAIN|... at 97%
2brhRCSB PDB    PDBbind297aa, >2BRH:A|PDBID|CHAIN|... at 97%
2brmRCSB PDB    PDBbind297aa, >2BRM:A|PDBID|CHAIN|... at 97%
2brnRCSB PDB    PDBbind297aa, >2BRN:A|PDBID|CHAIN|... at 97%
2broRCSB PDB    PDBbind297aa, >2BRO:A|PDBID|CHAIN|... at 97%
2c3jRCSB PDB    PDBbind297aa, >2C3J:A|PDBID|CHAIN|... at 97%
2c3kRCSB PDB    PDBbind297aa, >2C3K:A|PDBID|CHAIN|... at 97%
2c3lRCSB PDB    PDBbind297aa, >2C3L:A|PDBID|CHAIN|... at 97%
2cguRCSB PDB    PDBbind297aa, >2CGU:A|PDBID|CHAIN|... at 97%
2cgvRCSB PDB    PDBbind297aa, >2CGV:A|PDBID|CHAIN|... at 97%
2cgwRCSB PDB    PDBbind297aa, >2CGW:A|PDBID|CHAIN|... at 97%
2cgxRCSB PDB    PDBbind297aa, >2CGX:A|PDBID|CHAIN|... at 97%
2e9nRCSB PDB    PDBbind269aa, >2E9N:A|PDBID|CHAIN|... at 100%
2e9oRCSB PDB    PDBbind269aa, >2E9O:A|PDBID|CHAIN|... at 100%
2e9uRCSB PDB    PDBbind269aa, >2E9U:A|PDBID|CHAIN|... at 100%
2e9vRCSB PDB    PDBbind268aa, >2E9V:B|PDBID|CHAIN|... at 100%
2gdoRCSB PDB    PDBbind295aa, >2GDO:A|PDBID|CHAIN|... at 98%
2ghgRCSB PDB    PDBbind269aa, >2GHG:A|PDBID|CHAIN|... at 100%
2hogRCSB PDB    PDBbind322aa, >2HOG:A|PDBID|CHAIN|... at 100%
2hxlRCSB PDB    PDBbind322aa, >2HXL:A|PDBID|CHAIN|... at 100%
2hxqRCSB PDB    PDBbind322aa, >2HXQ:A|PDBID|CHAIN|... at 100%
2hy0RCSB PDB    PDBbind322aa, >2HY0:A|PDBID|CHAIN|... at 100%
2qhmRCSB PDB    PDBbind323aa, >2QHM:A|PDBID|CHAIN|... *
2qhnRCSB PDB    PDBbind323aa, >2QHN:A|PDBID|CHAIN|... at 100%
2r0uRCSB PDB    PDBbind323aa, >2R0U:A|PDBID|CHAIN|... at 100%
2wmrRCSB PDB    PDBbind289aa, >2WMR:A|PDBID|CHAIN|... at 100%
2wmuRCSB PDB    PDBbind289aa, >2WMU:A|PDBID|CHAIN|... at 100%
2wmvRCSB PDB    PDBbind289aa, >2WMV:A|PDBID|CHAIN|... at 100%
2wmwRCSB PDB    PDBbind289aa, >2WMW:A|PDBID|CHAIN|... at 100%
2wmxRCSB PDB    PDBbind289aa, >2WMX:A|PDBID|CHAIN|... at 100%
2x8dRCSB PDB    PDBbind289aa, >2X8D:A|PDBID|CHAIN|... at 100%
2x8eRCSB PDB    PDBbind276aa, >2X8E:A|PDBID|CHAIN|... at 100%
2xeyRCSB PDB    PDBbind289aa, >2XEY:A|PDBID|CHAIN|... at 100%
2xezRCSB PDB    PDBbind289aa, >2XEZ:A|PDBID|CHAIN|... at 100%
2xf0RCSB PDB    PDBbind289aa, >2XF0:A|PDBID|CHAIN|... at 100%
2ydiRCSB PDB    PDBbind289aa, >2YDI:A|PDBID|CHAIN|... at 100%
2ydjRCSB PDB    PDBbind276aa, >2YDJ:B|PDBID|CHAIN|... at 100%
2ydkRCSB PDB    PDBbind276aa, >2YDK:A|PDBID|CHAIN|... at 100%
2yerRCSB PDB    PDBbind276aa, >2YER:A|PDBID|CHAIN|... at 100%
2yexRCSB PDB    PDBbind276aa, >2YEX:A|PDBID|CHAIN|... at 100%
2ym3RCSB PDB    PDBbind289aa, >2YM3:A|PDBID|CHAIN|... at 100%
2ym4RCSB PDB    PDBbind289aa, >2YM4:A|PDBID|CHAIN|... at 100%
2ym5RCSB PDB    PDBbind289aa, >2YM5:A|PDBID|CHAIN|... at 100%
2ym6RCSB PDB    PDBbind289aa, >2YM6:A|PDBID|CHAIN|... at 100%
2ym7RCSB PDB    PDBbind289aa, >2YM7:A|PDBID|CHAIN|... at 100%
2ym8RCSB PDB    PDBbind289aa, >2YM8:A|PDBID|CHAIN|... at 100%
2ywpRCSB PDB    PDBbind269aa, >2YWP:A|PDBID|CHAIN|... at 100%
3f9nRCSB PDB    PDBbind322aa, >3F9N:A|PDBID|CHAIN|... at 100%
3jvrRCSB PDB    PDBbind271aa, >3JVR:A|PDBID|CHAIN|... at 100%
3jvsRCSB PDB    PDBbind271aa, >3JVS:A|PDBID|CHAIN|... at 100%
3nlbRCSB PDB    PDBbind297aa, >3NLB:A|PDBID|CHAIN|... at 97%
3ot3RCSB PDB    PDBbind273aa, >3OT3:A|PDBID|CHAIN|... at 100%
3ot8RCSB PDB    PDBbind273aa, >3OT8:A|PDBID|CHAIN|... at 100%
3pa3RCSB PDB    PDBbind273aa, >3PA3:A|PDBID|CHAIN|... at 100%
3pa4RCSB PDB    PDBbind273aa, >3PA4:A|PDBID|CHAIN|... at 100%
3pa5RCSB PDB    PDBbind273aa, >3PA5:A|PDBID|CHAIN|... at 100%
3tkhRCSB PDB    PDBbind323aa, >3TKH:A|PDBID|CHAIN|... at 100%
3tkiRCSB PDB    PDBbind323aa, >3TKI:A|PDBID|CHAIN|... at 100%
3u9nRCSB PDB    PDBbind273aa, >3U9N:A|PDBID|CHAIN|... at 100%
4hyhRCSB PDB    PDBbind289aa, >4HYH:A|PDBID|CHAIN|... at 100%
4hyiRCSB PDB    PDBbind289aa, >4HYI:A|PDBID|CHAIN|... at 100%
4jikRCSB PDB    PDBbind273aa, >4JIK:A|PDBID|CHAIN|... at 100%
4qyeRCSB PDB    PDBbind298aa, >4QYE:A|PDBID|CHAIN|... at 97%
4qygRCSB PDB    PDBbind298aa, >4QYG:B|PDBID|CHAIN|... at 97%
4qyhRCSB PDB    PDBbind298aa, >4QYH:B|PDBID|CHAIN|... at 97%
4rvkRCSB PDB    PDBbind298aa, >4RVK:A|PDBID|CHAIN|... at 97%
4rvlRCSB PDB    PDBbind298aa, >4RVL:A|PDBID|CHAIN|... at 97%
4rvmRCSB PDB    PDBbind298aa, >4RVM:A|PDBID|CHAIN|... at 97%
5dlsRCSB PDB    PDBbind297aa, >5DLS:A|PDBID|CHAIN|... at 97%
5f4nRCSB PDB    PDBbind273aa, >5F4N:A|PDBID|CHAIN|... at 100%
5ootRCSB PDB    PDBbind297aa, >5OOT:A|PDBID|CHAIN|... at 94%
5op2RCSB PDB    PDBbind297aa, >5OP2:A|PDBID|CHAIN|... at 94%
5op4RCSB PDB    PDBbind297aa, >5OP4:A|PDBID|CHAIN|... at 94%
5op5RCSB PDB    PDBbind297aa, >5OP5:A|PDBID|CHAIN|... at 94%
5opbRCSB PDB    PDBbind297aa, >5OPB:A|PDBID|CHAIN|... at 94%
5oprRCSB PDB    PDBbind297aa, >5OPR:A|PDBID|CHAIN|... at 94%
5opsRCSB PDB    PDBbind297aa, >5OPS:A|PDBID|CHAIN|... at 94%
5opuRCSB PDB    PDBbind297aa, >5OPU:A|PDBID|CHAIN|... at 94%
5opvRCSB PDB    PDBbind297aa, >5OPV:A|PDBID|CHAIN|... at 94%
5oq5RCSB PDB    PDBbind297aa, >5OQ5:A|PDBID|CHAIN|... at 94%
5oq6RCSB PDB    PDBbind297aa, >5OQ6:A|PDBID|CHAIN|... at 93%
5oq7RCSB PDB    PDBbind297aa, >5OQ7:B|PDBID|CHAIN|... at 94%
5oq8RCSB PDB    PDBbind297aa, >5OQ8:A|PDBID|CHAIN|... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2x8i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCheckpoint Kinase-1 (Chk1, CHK1, CHEK1)
Ligand NameX8I
EC.Number E.C.2.7.11.1
Resolution 1.92(Å)
Affinity (Kd/Ki/IC50)IC50=0.19uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2010) Bioorg.Med.Chem. Vol. 20: pp. 5133-5138
Ligand Properties
Formula C17H14N3O2
Molecular Weight 292.312
Exact Mass 292.109
No. of atoms 36
No. of bonds 39
Polar Surface Area 72.98
LOGP Value 3.95      (Computed with XLOGP3)
2.28      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): O14757  
Entrez Gene IDNCBI Entrez Gene ID: 1111  
ASDInformation of known allosteric effects of PDB entries

 
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