Receptor
PDB id Resolution Class Description Source Keywords
4TU7 2.09 Å NON-ENZYME: OTHER STRUCTURE OF U2AF65 D231V VARIANT WITH BRU5 DNA HOMO SAPIENS PRE-MRNA SPLICING FACTOR RNA RECOGNITION MOTIF RNA BINDINGDNA COMPLEX
Ref.: STRUCTURE-GUIDED U2AF65 VARIANT IMPROVES RECOGNITIO SPLICING OF A DEFECTIVE PRE-MRNA. PROC.NATL.ACAD.SCI.USA V. 111 17420 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIO B:401;
B:402;
A:401;
A:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
SO4 B:404;
A:403;
A:405;
B:406;
A:404;
B:405;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL A:408;
A:406;
A:407;
B:407;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CPQ B:403;
Invalid;
none;
submit data
862.056 C42 H75 N3 O15 C[C@H...
DU DU DU DU BRU DU DU P:1;
E:1;
Valid;
Valid;
none;
none;
submit data
2042.06 n/a BrC=1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TU8 1.92 Å NON-ENZYME: OTHER STRUCTURE OF U2AF65 VARIANT WITH BRU5A6 DNA HOMO SAPIENS RNA SPLICING FACTOR RNA RECOGNITION MOTIF RNA BINDING PROTBINDING PROTEIN-DNA COMPLEX
Ref.: STRUCTURE-GUIDED U2AF65 VARIANT IMPROVES RECOGNITIO SPLICING OF A DEFECTIVE PRE-MRNA. PROC.NATL.ACAD.SCI.USA V. 111 17420 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 4TU9 - DU DU DU DU BRU DG DU n/a n/a
2 4TU8 - DU DU DU DU BRU DA DU n/a n/a
3 4TU7 - DU DU DU DU BRU DU DU n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 4TU9 - DU DU DU DU BRU DG DU n/a n/a
2 4TU8 - DU DU DU DU BRU DA DU n/a n/a
3 4TU7 - DU DU DU DU BRU DU DU n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 4TU9 - DU DU DU DU BRU DG DU n/a n/a
2 4TU8 - DU DU DU DU BRU DA DU n/a n/a
3 4TU7 - DU DU DU DU BRU DU DU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DU DU DU DU BRU DU DU ; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 DU DU DU DU BRU DU DU 1 1
2 DU DU DU DU BRU DA DU 0.733871 0.888889
3 DU DU DU DU BRU DG DU 0.648 0.813953
4 DT DT DT 0.575472 0.893333
5 DT DT DT DT DT 0.563636 0.87013
6 BRU 0.536082 0.932432
7 DU 0.53125 0.864865
8 UMP 0.53125 0.864865
9 DT DT PST 0.526316 0.848101
10 DT ME6 DT 0.520325 0.848101
11 DUD 0.52 0.853333
12 UM3 0.515789 0.851351
13 DUN 0.509804 0.831169
14 3PD UM3 0.496063 0.755814
15 DUP 0.495238 0.831169
16 UC5 0.490196 0.842105
17 DUT 0.485714 0.853333
18 DC DC DT DG 0.45082 0.820513
19 DUS 0.45 0.768293
20 DUR 0.446809 0.808219
21 DA DT DA DA 0.429577 0.819277
22 DT DC 0.426357 0.835443
23 DC DG 0.422222 0.77907
24 DT MA7 DT 0.417808 0.77907
25 TTP MG 0.40708 0.891892
26 5HU 0.40566 0.868421
27 5IU 0.401869 0.906667
28 DT 64T DT DT 0.401235 0.819277
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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