Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIO B:401;
B:402;
B:403;
B:404;
A:401;
A:402;
B:405;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
DU DU DU DU BRU DA DU E:1;
P:1;
Valid;
Valid;
none;
none;
submit data
1775.94 n/a BrC=1...
GOL A:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
EDO A:405;
B:410;
B:407;
B:409;
A:407;
A:404;
B:408;
A:406;
A:408;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 B:411;
A:409;
A:410;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
CPQ B:406;
Invalid;
none;
submit data
862.056 C42 H75 N3 O15 C[C@H...
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 1256 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 1068 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 922 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 DA DU ; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 DU DU DU DU BRU DA DU 1 1
2 DU DU DU DU BRU DG DU 0.748148 0.91954
3 DU DU DU DU BRU DU DU 0.699187 0.888889
4 DA DT DA DA 0.678832 0.927711
5 DA DC DG DA 0.583333 0.873563
6 DG DA DC DG 0.576923 0.873563
7 DC DG DT DA 0.569697 0.853933
8 DT DA DC DG 0.563636 0.853933
9 CPA 0.51773 0.892857
10 3PD UM3 0.517483 0.83908
11 139 0.506944 0.870588
12 PUA 0.5 0.858824
13 DC DG DA DC 0.496894 0.850575
14 DC DG 0.489796 0.862069
15 PAX 0.467949 0.872093
16 D5M 0.467213 0.807229
17 DA 0.467213 0.807229
18 DAT 0.464567 0.809524
19 AS 0.451613 0.770115
20 DT DT DT 0.446154 0.785714
21 A U 0.442953 0.86747
22 DTP 0.439394 0.809524
23 ADS THS THS THS 0.432258 0.873563
24 DG DT DC 0.43125 0.844444
25 DG DG 0.425532 0.83908
26 DA DU DG DA 0.421053 0.788889
27 U A A U 0.419753 0.835294
28 DT DT DT DT DT 0.411348 0.77907
29 4TA 0.410256 0.894118
30 A U C C 0.407186 0.847059
31 A G U 0.405882 0.818182
32 UM3 0.401639 0.759036
Similar Binding Sites (Proteins are less than 50% similar to leader)
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