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: 6ocq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ithRCSB PDB    PDBbind294aa, >4ITH_1|Chains... at 100%
4itiRCSB PDB    PDBbind294aa, >4ITI_1|Chains... at 100%
4itjRCSB PDB    PDBbind294aa, >4ITJ_1|Chains... at 100%
5hx6RCSB PDB    PDBbind303aa, >5HX6_1|Chains... *
5tx5RCSB PDB    PDBbind303aa, >5TX5_1|Chains... at 100%
6c3eRCSB PDB    PDBbind297aa, >6C3E_1|Chains... at 98%
6c4dRCSB PDB    PDBbind297aa, >6C4D_1|Chains... at 98%
6rlnRCSB PDB    PDBbind303aa, >6RLN_1|Chains... at 100%
6r5fRCSB PDB    PDBbind303aa, >6R5F_1|Chains... at 100%
6nyhRCSB PDB    PDBbind296aa, >6NYH_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6ocq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRIP1 kinase
Ligand NameM5J
EC.Number E.C.2.7.11.1
Resolution 2.79(Å)
Affinity (Kd/Ki/IC50)Kd=200nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 5096-5110
Ligand Properties
Formula C15H20FNO
Molecular Weight 249.324
Exact Mass 249.153
No. of atoms 38
No. of bonds 39
Polar Surface Area 20.31
LOGP Value 3.24      (Computed with XLOGP3)
3.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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): Q13546  
Entrez Gene IDNCBI Entrez Gene ID: 8737  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2025    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