Structure of PDB 6evq Chain B Binding Site BS01

Receptor Information
>6evq Chain B (length=70) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEAAELMQQVKVLKLTVEDLEKERDFYFGKLRNIELICQENEGENDPVLQ
RIVDILYATDEGFVIPDEGG
Ligand information
Ligand IDC05
InChIInChI=1S/C14H19N5O2S/c1-10(13(20)15-9-12-7-4-8-21-12)22-14-16-17-18-19(14)11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,20)/t10-/m1/s1
InChIKeyADSMFFQFDVVTMR-SNVBAGLBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](Sc1nnnn1C2CCCC2)C(=O)NCc3occc3
OpenEye OEToolkits 2.0.6CC(C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3
OpenEye OEToolkits 2.0.6C[C@H](C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3
CACTVS 3.385C[C@@H](Sc1nnnn1C2CCCC2)C(=O)NCc3occc3
FormulaC14 H19 N5 O2 S
Name(2~{R})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{N}-(furan-2-ylmethyl)propanamide
ChEMBL
DrugBank
ZINCZINC000008389073
PDB chain6evq Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6evq Targeting SxIP-EB1 interaction: An integrated approach to the discovery of small molecule modulators of dynamic binding sites.
ResolutionN/A
Binding residue
(original residue number in PDB)		L246 Y247
Binding residue
(residue number reindexed from 1)		L56 Y57
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.00,Kd=10mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008017 microtubule binding

View graph for
Molecular Function
External links
PDB RCSB:6evq, PDBe:6evq, PDBj:6evq
PDBsum6evq
PubMed29138501
UniProtQ61166|MARE1_MOUSE Microtubule-associated protein RP/EB family member 1 (Gene Name=Mapre1)

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