Receptor
PDB id Resolution Class Description Source Keywords
4HXJ 2 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF SH3:RGT COMPLEX HOMO SAPIENS INTEGRIN BETA-3 C-SRC KINASE SH3 DOMAIN RGT THROMBOSIS SIGNALING BLOOD CLOTTING SIGNALING PROTEIN
Ref.: STRUCTURAL FRAMEWORK OF C-SRC ACTIVATION BY INTEGRI BLOOD V. 121 700 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG GLY THR C:760;
 Valid;
 none;
 Kd ~ 74.3 uM
333.369 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HXJ 2 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF SH3:RGT COMPLEX HOMO SAPIENS INTEGRIN BETA-3 C-SRC KINASE SH3 DOMAIN RGT THROMBOSIS SIGNALING BLOOD CLOTTING SIGNALING PROTEIN
Ref.: STRUCTURAL FRAMEWORK OF C-SRC ACTIVATION BY INTEGRI BLOOD V. 121 700 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 4HXJ Kd ~ 74.3 uM ARG GLY THR n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
2 4HXJ Kd ~ 74.3 uM ARG GLY THR n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 40 families.
1 6A9C - LYS VAL ALA PRO PRO ILE PRO HIS ARG n/a n/a
2 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
3 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
4 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
5 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
6 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
7 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
9 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
10 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
11 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
12 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
13 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
14 4HXJ Kd ~ 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG GLY THR; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG GLY THR 1 1
2 ARG GLY ASP 0.594203 0.893617
3 ARG ARG GLY ILE NH2 0.533333 0.82
4 GLU ARG GLY MET THR 0.505618 0.884615
5 ARG ARG GLY LEU NH2 0.5 0.82
6 ARG ARG GLY CYS NH2 0.493333 0.816327
7 ARG ARG GLY MET NH2 0.475 0.773585
8 ARG SER ARG 0.465753 0.84
9 ARG ARG ALA ALA 0.454545 0.854167
10 ARG GLU ALA ALA 0.45 0.893617
11 ARG GLY ASP ILE ASN ASN ASN VAL 0.44898 0.781818
12 ARG VAL 0.447761 0.833333
13 ARG ALA ARG 0.445946 0.808511
14 ARG ASP ALA ALA 0.441558 0.893617
15 ARG LEU GLY GLU SER 0.44 0.816327
16 ARG ILE ALA ALA ALA 0.44 0.77551
17 ALA ARG 9AT 0.438356 0.877551
18 ARG VAL ALA SER PRO THR SER GLY VAL 0.432432 0.71875
19 ARG GLY TYR LEU TYR GLN GLY LEU 0.429907 0.789474
20 ARG GLY TYR VAL TYR GLN GLY LEU 0.423423 0.789474
21 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.42 0.849057
22 ACE THR ARG GLU 0.4 0.877551
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG GLY THR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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