Browse entries in the PDBbind-CN Database

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Related entries of code: 2ym3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nvqRCSB PDB    PDBbind289aa, >1NVQ_1|Chain... at 100%
1nvrRCSB PDB    PDBbind289aa, >1NVR_1|Chain... at 100%
1nvsRCSB PDB    PDBbind289aa, >1NVS_1|Chain... at 100%
2aypRCSB PDB    PDBbind269aa, >2AYP_1|Chain... at 100%
2br1RCSB PDB    PDBbind297aa, >2BR1_1|Chain... at 97%
2brbRCSB PDB    PDBbind297aa, >2BRB_1|Chain... at 97%
2brgRCSB PDB    PDBbind297aa, >2BRG_1|Chain... at 97%
2brhRCSB PDB    PDBbind297aa, >2BRH_1|Chain... at 97%
2brmRCSB PDB    PDBbind297aa, >2BRM_1|Chain... at 97%
2brnRCSB PDB    PDBbind297aa, >2BRN_1|Chain... at 97%
2broRCSB PDB    PDBbind297aa, >2BRO_1|Chain... at 97%
2c3jRCSB PDB    PDBbind297aa, >2C3J_1|Chain... at 97%
2c3kRCSB PDB    PDBbind297aa, >2C3K_1|Chain... at 97%
2c3lRCSB PDB    PDBbind297aa, >2C3L_1|Chain... at 97%
2cguRCSB PDB    PDBbind297aa, >2CGU_1|Chain... at 97%
2cgvRCSB PDB    PDBbind297aa, >2CGV_1|Chain... at 97%
2cgwRCSB PDB    PDBbind297aa, >2CGW_1|Chain... at 97%
2cgxRCSB PDB    PDBbind297aa, >2CGX_1|Chain... at 97%
2e9nRCSB PDB    PDBbind269aa, >2E9N_1|Chain... at 100%
2e9oRCSB PDB    PDBbind269aa, >2E9O_1|Chain... at 100%
2e9uRCSB PDB    PDBbind269aa, >2E9U_1|Chain... at 100%
2e9vRCSB PDB    PDBbind268aa, >2E9V_1|Chains... at 100%
2gdoRCSB PDB    PDBbind295aa, >2GDO_1|Chain... at 98%
2ghgRCSB PDB    PDBbind269aa, >2GHG_1|Chain... at 100%
2hogRCSB PDB    PDBbind322aa, >2HOG_1|Chain... at 100%
2hxlRCSB PDB    PDBbind322aa, >2HXL_1|Chain... at 100%
2hxqRCSB PDB    PDBbind322aa, >2HXQ_1|Chain... at 100%
2hy0RCSB PDB    PDBbind322aa, >2HY0_1|Chain... at 100%
2qhmRCSB PDB    PDBbind323aa, >2QHM_1|Chain... *
2qhnRCSB PDB    PDBbind323aa, >2QHN_1|Chain... at 100%
2r0uRCSB PDB    PDBbind323aa, >2R0U_1|Chain... at 100%
2wmrRCSB PDB    PDBbind289aa, >2WMR_1|Chain... at 100%
2wmuRCSB PDB    PDBbind289aa, >2WMU_1|Chain... at 100%
2wmvRCSB PDB    PDBbind289aa, >2WMV_1|Chain... at 100%
2wmwRCSB PDB    PDBbind289aa, >2WMW_1|Chain... at 100%
2wmxRCSB PDB    PDBbind289aa, >2WMX_1|Chain... at 100%
2x8dRCSB PDB    PDBbind289aa, >2X8D_1|Chain... at 100%
2x8eRCSB PDB    PDBbind276aa, >2X8E_1|Chain... at 100%
2x8iRCSB PDB    PDBbind289aa, >2X8I_1|Chain... at 100%
2xeyRCSB PDB    PDBbind289aa, >2XEY_1|Chain... at 100%
2xezRCSB PDB    PDBbind289aa, >2XEZ_1|Chain... at 100%
2xf0RCSB PDB    PDBbind289aa, >2XF0_1|Chain... at 100%
2ydiRCSB PDB    PDBbind289aa, >2YDI_1|Chain... at 100%
2ydjRCSB PDB    PDBbind276aa, >2YDJ_1|Chains... at 100%
2ydkRCSB PDB    PDBbind276aa, >2YDK_1|Chain... at 100%
2yerRCSB PDB    PDBbind276aa, >2YER_1|Chain... at 100%
2yexRCSB PDB    PDBbind276aa, >2YEX_1|Chain... at 100%
2ym4RCSB PDB    PDBbind289aa, >2YM4_1|Chain... at 100%
2ym5RCSB PDB    PDBbind289aa, >2YM5_1|Chain... at 100%
2ym6RCSB PDB    PDBbind289aa, >2YM6_1|Chain... at 100%
2ym7RCSB PDB    PDBbind289aa, >2YM7_1|Chain... at 100%
2ym8RCSB PDB    PDBbind289aa, >2YM8_1|Chain... at 100%
2ywpRCSB PDB    PDBbind269aa, >2YWP_1|Chain... at 100%
3f9nRCSB PDB    PDBbind322aa, >3F9N_1|Chain... at 100%
3jvrRCSB PDB    PDBbind271aa, >3JVR_1|Chain... at 100%
3jvsRCSB PDB    PDBbind271aa, >3JVS_1|Chain... at 100%
3nlbRCSB PDB    PDBbind297aa, >3NLB_1|Chain... at 97%
3ot3RCSB PDB    PDBbind273aa, >3OT3_1|Chain... at 100%
3ot8RCSB PDB    PDBbind273aa, >3OT8_1|Chain... at 100%
3pa3RCSB PDB    PDBbind273aa, >3PA3_1|Chain... at 100%
3pa4RCSB PDB    PDBbind273aa, >3PA4_1|Chain... at 100%
3pa5RCSB PDB    PDBbind273aa, >3PA5_1|Chain... at 100%
3tkhRCSB PDB    PDBbind323aa, >3TKH_1|Chain... at 100%
3tkiRCSB PDB    PDBbind323aa, >3TKI_1|Chain... at 100%
3u9nRCSB PDB    PDBbind273aa, >3U9N_1|Chain... at 100%
4hyhRCSB PDB    PDBbind289aa, >4HYH_1|Chain... at 100%
4hyiRCSB PDB    PDBbind289aa, >4HYI_1|Chain... at 100%
4jikRCSB PDB    PDBbind273aa, >4JIK_1|Chain... at 100%
4qyeRCSB PDB    PDBbind298aa, >4QYE_1|Chain... at 97%
4qygRCSB PDB    PDBbind298aa, >4QYG_1|Chains... at 97%
4qyhRCSB PDB    PDBbind298aa, >4QYH_1|Chains... at 97%
4rvkRCSB PDB    PDBbind298aa, >4RVK_1|Chain... at 97%
4rvlRCSB PDB    PDBbind298aa, >4RVL_1|Chain... at 97%
4rvmRCSB PDB    PDBbind298aa, >4RVM_1|Chain... at 97%
5dlsRCSB PDB    PDBbind297aa, >5DLS_1|Chain... at 97%
5f4nRCSB PDB    PDBbind273aa, >5F4N_1|Chain... at 100%
5ootRCSB PDB    PDBbind297aa, >5OOT_1|Chain... at 94%
5op2RCSB PDB    PDBbind297aa, >5OP2_1|Chain... at 94%
5op4RCSB PDB    PDBbind297aa, >5OP4_1|Chain... at 94%
5op5RCSB PDB    PDBbind297aa, >5OP5_1|Chain... at 94%
5opbRCSB PDB    PDBbind297aa, >5OPB_1|Chain... at 94%
5oprRCSB PDB    PDBbind297aa, >5OPR_1|Chain... at 94%
5opsRCSB PDB    PDBbind297aa, >5OPS_1|Chain... at 94%
5opuRCSB PDB    PDBbind297aa, >5OPU_1|Chain... at 94%
5opvRCSB PDB    PDBbind297aa, >5OPV_1|Chain... at 94%
5oq5RCSB PDB    PDBbind297aa, >5OQ5_1|Chain... at 94%
5oq6RCSB PDB    PDBbind297aa, >5OQ6_1|Chain... at 93%
5oq7RCSB PDB    PDBbind297aa, >5OQ7_1|Chains... at 94%
5oq8RCSB PDB    PDBbind297aa, >5OQ8_1|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 ID2ym3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSERINE/THREONINE-PROTEIN KINASE CHK1
Ligand NameYM3
EC.Number E.C.2.7.11.1
Resolution 2.01(Å)
Affinity (Kd/Ki/IC50)IC50=1.0uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 8328-8342.
Ligand Properties
Formula C14H20N5O3
Molecular Weight 306.340
Exact Mass 306.157
No. of atoms 42
No. of bonds 44
Polar Surface Area 107.98
LOGP Value -0.09      (Computed with XLOGP3)
-0.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): O14757  
Entrez Gene IDNCBI Entrez Gene ID: 1111  
ASDInformation of known allosteric effects of PDB entries
 
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