Receptor
PDB id Resolution Class Description Source Keywords
2BR9 1.75 Å NON-ENZYME: OTHER 14-3-3 PROTEIN EPSILON (HUMAN) COMPLEXED TO PEPTIDE HOMO SAPIENS CELL REGULATOR PROTEIN 14-3-3 PHOSPHOSERINE STRUCTURAL GECONSORTIUM SGC YWHAE
Ref.: STRUCTURAL BASIS FOR PROTEIN-PROTEIN INTERACTIONS I 14-3-3 PROTEIN FAMILY. PROC.NATL.ACAD.SCI.USA V. 103 17237 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG ARG GLN ARG SEP ALA PRO P:2;
Valid;
none;
submit data
677.649 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BR9 1.75 Å NON-ENZYME: OTHER 14-3-3 PROTEIN EPSILON (HUMAN) COMPLEXED TO PEPTIDE HOMO SAPIENS CELL REGULATOR PROTEIN 14-3-3 PHOSPHOSERINE STRUCTURAL GECONSORTIUM SGC YWHAE
Ref.: STRUCTURAL BASIS FOR PROTEIN-PROTEIN INTERACTIONS I 14-3-3 PROTEIN FAMILY. PROC.NATL.ACAD.SCI.USA V. 103 17237 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
2 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
3 5BTV Kd = 6.5 uM GLY SEP LEU GLY n/a n/a
4 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
5 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
6 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
7 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
8 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
9 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
10 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
11 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
12 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
13 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
14 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
15 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
16 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
17 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
18 3O8I - M1T C7 H14 O4 COCC(=O)CC....
19 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
20 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
21 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
22 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
23 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
24 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
25 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
26 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
27 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
28 3IQU - GLN ARG SER THR SEP THR n/a n/a
29 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
30 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
31 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
32 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
33 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
34 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
35 1QJA Ki = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
36 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
37 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
38 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
39 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
40 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
2 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
3 5BTV Kd = 6.5 uM GLY SEP LEU GLY n/a n/a
4 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
5 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
6 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
7 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
8 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
9 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
10 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
11 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
12 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
13 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
14 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
15 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
16 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
17 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
18 3O8I - M1T C7 H14 O4 COCC(=O)CC....
19 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
20 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
21 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
22 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
23 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
24 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
25 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
26 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
27 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
28 3IQU - GLN ARG SER THR SEP THR n/a n/a
29 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
30 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
31 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
32 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
33 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
34 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
35 1QJA Ki = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
36 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
37 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
38 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
39 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
40 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG ARG GLN ARG SEP ALA PRO; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ARG GLN ARG SEP ALA PRO 1 1
2 LYS PRO SEP GLN GLU LEU 0.508772 0.953846
3 ARG ALA ILE SEP LEU PRO 0.490566 0.923077
4 ARG ARG ALA SEP ALA PRO LEU PRO 0.458647 0.847222
5 ACE ALA SEP PRO 0.445545 0.859375
6 ACE GLN PM3 GLU GLU ILE PRO 0.425197 0.893939
7 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.422535 0.835616
8 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.41875 0.818182
9 MET GLN SER TPO PRO LEU 0.410448 0.821918
10 GLU VAL PTR GLU SER PRO 0.407692 0.808219
11 ACE MET GLN SER SEP PRO LEU NH2 0.406015 0.847222
Similar Binding Sites (Proteins are less than 50% similar to leader)
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