Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 2e9v
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%
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%
2ym3RCSB PDB    PDBbind289aa, >2YM3_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 ID2e9v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman Checkpoint kinase 1 (Chk1)
Ligand Name85A
EC.Number E.C.2.7.11.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=12.59nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J. Med. Chem., Vol.52, pp.3159-3165
Ligand Properties
Formula C23H22ClN7O3
Molecular Weight 479.919
Exact Mass 479.147
No. of atoms 56
No. of bonds 59
Polar Surface Area 134.08
LOGP Value 2.89      (Computed with XLOGP3)
4.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 10
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
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com