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
Drug Property Profile of Target
Target Poor or Non Binders
Target Regulators
Target Affiliated Biological Pathways
Target-Related Models and Studies
References
Drug Binding Sites of Target  Top
Ligand Name: Ibuprofen Ligand Info
Structure Description Human adipocyte lipid-binding protein FABP4 in complex with (S)-ibuprofen PDB:3P6H
Method X-ray diffraction Resolution 1.15 Å Mutation No [6]
PDB Sequence
QQMGRGSMCD
2
AFVGTWKLVS
12
SENFDDYMKE
22
VGVGFATRKV
32
AGMAKPNMII
42

SVNGDVITIK
52
SESTFKNTEI
62
SFILGQEFDE
72
VTADDRKVKS
82
TITLDGGVLV
92

HVQKWDGKST
102
TIKRKREDDK
112
LVVECVMKGV
122
TSTRVYERA
Residue
Distance (Å)
LEU10
4.880
PHE16
3.859
TYR19
4.232
MET20
3.731
VAL25
4.258
ALA33
4.050
SER53
4.915
PHE57
4.491
THR74
4.781
Residue
Distance (Å)
ALA75
4.280
ASP76
3.524
ARG78
4.050
ILE104
3.842
ARG106
4.057
VAL115
3.771
CYS117
4.021
ARG126
2.708
TYR128
2.656
Ligand Name: BMS309403 Ligand Info
Structure Description Crystal structure of human adipocyte fatty acid binding protein in complex with ((2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid PDB:2NNQ
Method X-ray diffraction Resolution 1.80 Å Mutation No [7]
PDB Sequence
CDAFVGTWKL
10
VSSENFDDYM
20
KEVGVGFATR
30
KVAGMAKPNM
40
IISVNGDVIT
50

IKSESTFKNT
60
EISFILGQEF
70
DEVTADDRKV
80
KSTITLDGGV
90
LVHVQKWDGK
100

STTIKRKRED
110
DKLVVECVMK
120
GVTSTRVYER
130
A
Residue
Distance (Å)
LEU10
4.761
PHE16
3.793
TYR19
4.617
MET20
4.005
VAL25
4.390
ALA33
3.135
ALA36
3.685
PRO38
3.609
ASN39
4.284
MET40
3.998
ILE51
3.632
LYS52
4.809
SER53
3.138
SER55
3.727
PHE57
3.821
Residue
Distance (Å)
THR60
4.206
GLU61
4.509
ILE62
3.854
GLU72
4.329
ALA75
3.529
ASP76
3.518
ARG78
3.898
HIS93
4.210
GLN95
4.011
ILE104
3.739
ARG106
3.168
VAL115
3.554
CYS117
3.466
ARG126
2.767
TYR128
2.591
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).
Biological Network Descriptors of target is determined based on a human protein-protein interactions (PPI) network consisting of 9,309 proteins and 52,713 PPIs, which were with a high confidence score of ≥ 0.95 collected from STRING database.
The network properties of targets based on protein-protein interactions (PPIs) have been widely adopted for the assessment of target’s druggability. Proteins with high node degree tend to have a high impact on network function through multiple interactions, while proteins with high betweenness centrality are regarded to be central for communication in interaction networks and regulate the flow of signaling information (Front Pharmacol, 9, 1245, 2018; Curr Opin Struct Biol. 44:134-142, 2017).
Human Similarity Proteins
Human Tissue Distribution
Human Pathway Affiliation
Biological Network Descriptors
Protein Name Pfam ID Percentage of Identity (%) E value
Gastrotropin (FABP6)
PF14651
26.923 (35/130) 8.80E-04
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      
KEGG Pathway Pathway ID Affiliated Target Pathway Map
PPAR signaling pathway hsa03320 Affiliated Target
  Class: Organismal Systems => Endocrine system Pathway Hierarchy
Regulation of lipolysis in adipocytes hsa04923 Affiliated Target
  Class: Organismal Systems => Endocrine system Pathway Hierarchy
Degree 5 Degree centrality 5.37E-04 Betweenness centrality 8.83E-04
Closeness centrality 2.22E-01 Radiality 1.39E+01 Clustering coefficient 3.00E-01
Neighborhood connectivity 3.94E+01 Topological coefficient 2.47E-01 Eccentricity 11
Download Click to Download the Full PPI Network of This Target

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