Target Information

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Target General Information
Drug Binding Sites of Target
Different Human System Profiles of Target
Chemical Structure based Activity Landscape of Target
Target Poor or Non Binders
References
Drug Binding Sites of Target  Top
Ligand Name: Adenosine triphosphate Ligand Info
Structure Description Structure of the human Multidrug Resistance Protein 1 Nucleotide Binding Domain 1 PDB:2CBZ
Method X-ray diffraction Resolution 1.50 Å Mutation No [2]
PDB Sequence
NSITVRNATF
651
TWARSDPPTL
661
NGITFSIPEG
671
ALVAVVGQVG
681
CGKSSLLSAL
691

LAEMDKVEGH
701
VAIKGSVAYV
711
PQQAWIQNDS
721
LRENILFGCQ
731
LEEPYYRSVI
741

QACALLPDLE
751
ILPSGDRTEI
761
GEKGVNLSGG
771
QKQRVSLARA
781
VYSNADIYLF
791

DDPLSAVDAH
801
VGKHIFENVI
811
GPKGMLKNKT
821
RILVTHSMSY
831
LPQVDVIIVM
841

SGGKISEMGS
851
YQELLARDGA
861
FAEFLRTYAS
871
H
Residue
Distance (Å)
TRP653
3.271
THR660
3.691
GLN679
4.275
VAL680
3.286
GLY681
3.108
CYS682
3.276
Residue
Distance (Å)
GLY683
3.040
LYS684
2.704
SER685
2.836
SER686
2.686
GLN713
2.964
Click to View More Binding Site Information of This Target with Different Ligands
Different Human System Profiles of Target  Top
Human Similarity Proteins of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs (Brief Bioinform, 21: 649-662, 2020).
Human Tissue Distribution of target is determined from a proteomics study that quantified more than 12,000 genes across 32 normal human tissues. Tissue Specificity (TS) score was used to define the enrichment of target across tissues.
The distribution of targets among different tissues or organs need to be taken into consideration when assessing the target druggability, as it is generally accepted that the wider the target distribution, the greater the concern over potential adverse effects (Nat Rev Drug Discov, 20: 64-81, 2021).
Human Pathway Affiliation of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function.
Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes (Pharmacol Rev, 58: 259-279, 2006).
Human Similarity Proteins
Human Tissue Distribution
Human Pathway Affiliation
There is no similarity protein (E value < 0.005) for this target
Note: If a protein has TS (tissue specficity) scores at least in one tissue >= 2.5, this protein is called tissue-enriched (including tissue-enriched-but-not-specific and tissue-specific). In the plots, the vertical lines are at thresholds 2.5 and 4.
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
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KEGG Pathway Pathway ID Affiliated Target Pathway Map
ABC transporters hsa02010 Affiliated Target
  Class: Environmental Information Processing => Membrane transport Pathway Hierarchy
Sphingolipid signaling pathway hsa04071 Affiliated Target
  Class: Environmental Information Processing => Signal transduction Pathway Hierarchy
Vitamin digestion and absorption hsa04977 Affiliated Target
  Class: Organismal Systems => Digestive system Pathway Hierarchy

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