-->
Receptor
PDB id Resolution Class Description Source Keywords
1qjb 2 Å EC: 2.7.11.1 14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 1) HOMO SAPIENS KINASE INHIBITOR-PEPTIDE COMPLEX SIGNAL TRANSDUCTION
Ref.: STRUCTURAL ANALYSIS OF 14-3-3 PHOSPHOPEPTIDE COMPLE IDENTIFIES A DUAL ROLE FOR THE NUCLEAR EXPORT SIGNA 14-3-3 IN LIGAND BINDING MOL.CELL V. 4 153 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG SER HIS SEP TYR PRO ALA Q:3;
S:4;
Valid;
Valid;
none;
none;
Ki = 416 nM
951.933 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N84 2.5 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF 14-3-3ZETA IN COMPLEX WITH A 12-CARBON- CYCLIC PEPTIDE DERIVED FROM EXOS HOMO SAPIENS 14-3-3 ADAPTOR PROTEIN PROTEIN-PROTEIN INTERACTION CROSS-SIGNALING PROTEIN
Ref.: CONSTRAINED PEPTIDES WITH TARGET-ADAPTED CROSS-LINK INHIBITORS OF A PATHOGENIC PROTEIN-PROTEIN INTERACT ANGEW.CHEM.INT.ED.ENGL. V. 53 2489 2014
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
2 6FNA - DWE C50 H66 N6 O20 P2 c1ccc(c(c1....
3 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
4 1QJA Ki = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
5 6FNC - DWK C40 H48 N4 O15 P2 c1ccc(c(c1....
6 6FN9 ic50 = 284 uM DW8 C27 H38 N3 O10 P CCCNC(=O)C....
7 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
8 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
9 6FNB - DWQ C59 H84 N6 O22 P2 c1ccc(c(c1....
10 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
70% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
2 5BTV Kd = 6.5 uM GLY SEP LEU GLY n/a n/a
3 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
4 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
5 6FBB - SER ARG SEP SER PRO n/a n/a
6 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
7 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
8 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
9 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
10 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
11 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
12 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
13 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
14 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
15 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
16 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
17 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
18 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
19 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
20 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
21 3O8I - M1T C7 H14 O4 COCC(=O)CC....
22 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
23 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
24 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
25 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
26 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
27 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
28 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
29 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
30 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
31 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
32 3IQU - GLN ARG SER THR SEP THR n/a n/a
33 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
34 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
35 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
36 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
37 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
38 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
39 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
40 6FAU Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
41 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
42 6FNA - DWE C50 H66 N6 O20 P2 c1ccc(c(c1....
43 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
44 1QJA Ki = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
45 6FNC - DWK C40 H48 N4 O15 P2 c1ccc(c(c1....
46 6FN9 ic50 = 284 uM DW8 C27 H38 N3 O10 P CCCNC(=O)C....
47 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
48 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
49 6FNB - DWQ C59 H84 N6 O22 P2 c1ccc(c(c1....
50 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
51 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
52 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
53 5NWI Kd = 0.69 uM TYR PHE SER SEP ASN n/a n/a
54 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
55 5NWJ - HIS LEU TYR PHE SER SEP ASN n/a n/a
56 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
50% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
2 5BTV Kd = 6.5 uM GLY SEP LEU GLY n/a n/a
3 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
4 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
5 6FBB - SER ARG SEP SER PRO n/a n/a
6 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
7 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
8 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
9 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
10 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
11 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
12 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
13 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
14 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
15 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
16 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
17 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
18 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
19 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
20 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
21 3O8I - M1T C7 H14 O4 COCC(=O)CC....
22 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
23 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
24 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
25 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
26 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
27 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
28 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
29 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
30 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
31 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
32 3IQU - GLN ARG SER THR SEP THR n/a n/a
33 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
34 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
35 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
36 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
37 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
38 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
39 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
40 6FAU Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
41 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
42 6FNA - DWE C50 H66 N6 O20 P2 c1ccc(c(c1....
43 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
44 1QJA Ki = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
45 6FNC - DWK C40 H48 N4 O15 P2 c1ccc(c(c1....
46 6FN9 ic50 = 284 uM DW8 C27 H38 N3 O10 P CCCNC(=O)C....
47 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
48 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
49 6FNB - DWQ C59 H84 N6 O22 P2 c1ccc(c(c1....
50 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
51 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
52 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
53 5NWI Kd = 0.69 uM TYR PHE SER SEP ASN n/a n/a
54 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
55 5NWJ - HIS LEU TYR PHE SER SEP ASN n/a n/a
56 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ARG SER HIS SEP TYR PRO ALA; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG SER HIS SEP TYR PRO ALA 1 1
2 ARG LEU TYR HIS SEP LEU PRO ALA 0.730263 0.961538
3 TYR HIS SEP VAL VAL ARG TYR ALA 0.579618 0.871795
4 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.550633 0.848101
5 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.538462 0.860759
6 LYS ARG ARG ARG HIS PRO SER GLY 0.535032 0.818182
7 LYS ARG ARG ARG HIS PRO SER 0.529032 0.802632
8 SER ARG ASP HIS SER ARG THR PRO MET 0.523256 0.795181
9 SER SER TYR ARG ARG PRO VAL GLY ILE 0.518072 0.8375
10 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.516129 0.825
11 HIS HIS ALA SER PRO ARG LYS 0.509091 0.828947
12 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.502959 0.8375
13 VAL TYR PRO IAS HIS ALA 0.490566 0.772152
14 TYR TYR SER ILE ALA PRO HIS SER ILE 0.488095 0.8125
15 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.479532 0.7375
16 ARG SEP PRO VAL PHE SER 0.479042 0.87013
17 SER HIS PRO ARG PRO ILE ARG VAL 0.479042 0.8125
18 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.476744 0.822785
19 N7P THR SEP PRO SER TYR SET 0.475 0.871795
20 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.473054 0.8125
21 TYR TYR SER ILE ILE PRO HIS SER ILE 0.473054 0.8125
22 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.468571 0.8
23 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.467066 0.835443
24 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.465517 0.740741
25 GLU ALA ASP PRO THR GLY HIS SER TYR 0.461111 0.833333
26 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.456989 0.85
27 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.456853 0.817073
28 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.455026 0.761905
29 THR PRO ARG ARG SER MLZ SER ALA 0.454545 0.765432
30 ARG THR PHE SER PRO THR TYR GLY LEU 0.451977 0.82716
31 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.451613 0.740741
32 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.449102 0.881579
33 PRO SER TYR SEP PRO THR SEP PRO SER 0.448485 0.87013
34 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.447059 0.797468
35 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.445714 0.75
36 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.445055 0.839506
37 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.444444 0.871795
38 HIS SER ILE THR TYR LEU LEU PRO VAL 0.44382 0.8125
39 TYR PRO LYS ARG ILE ALA 0.443114 0.78481
40 ARG TYR PRO LEU THR PHE GLY TRP 0.442708 0.817073
41 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.44186 0.825
42 ARG THR PRO SEP LEU PRO THR 0.441718 0.871795
43 DHI PRO PHE HIS LEU LEU VAL TYR 0.441341 0.7375
44 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.441026 0.797619
45 ALA CYS SEP PRO GLN PHE GLY 0.439759 0.782051
46 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.438776 0.880952
47 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.436782 0.7875
48 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.435644 0.829268
49 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.435233 0.819277
50 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.435233 0.807229
51 ARG ARG ALA SEP ALA PRO LEU PRO 0.434524 0.835443
52 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.434066 0.835443
53 TYR SEP PRO THR SEP PRO SER 0.433121 0.87013
54 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.432432 0.77907
55 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.430693 0.819277
56 LYS PRO HIS SER ASP 0.43038 0.74359
57 PRO THR SEP PRO SER TYR 0.430303 0.881579
58 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.430052 0.756098
59 VAL PRO LEU ARG PRO MET THR TYR 0.429379 0.795181
60 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.429348 0.75
61 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.429348 0.839506
62 ALA ARG MLZ SER ALA PRO ALA THR 0.427711 0.756098
63 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.426829 0.868421
64 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.426396 0.821429
65 ALA LYS PHE ARG HIS ASP 0.425 0.692308
66 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.425 0.766234
67 ACE PHE HIS PRO ALA NH2 0.424837 0.701299
68 ALA ARG THR GLU LEU TYR ARG SER LEU 0.424242 0.6875
69 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.423913 0.740741
70 ASP ARG VAL TYR ILE HIS PRO PHE 0.423077 0.75641
71 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.422886 0.790698
72 ALA PHE ARG ILE PRO LEU THR ARG 0.422857 0.7875
73 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.422222 0.78481
74 ARG ARG ARG GLU ARG SER PRO THR ARG 0.421687 0.782051
75 GLY HIS ARG PRO NH2 0.421053 0.727273
76 GLY ALA ARG ALA HIS SER SER 0.419355 0.721519
77 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.418079 0.807692
78 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.417582 0.820513
79 ARG GLU ARG SER PRO THR ARG 0.416107 0.74359
80 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.415205 0.7625
81 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.414365 0.756098
82 ARG VAL ALA SEP PRO THR SER GLY VAL 0.413793 0.848101
83 GLU ARG THR ILE PRO ILE THR ARG GLU 0.41358 0.782051
84 ACE PRO LEU HIS SER TPO ALA NH2 0.412121 0.85
85 DTY ILE ARG LEU LPD 0.411043 0.772152
86 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.409756 0.790698
87 ACE ARG THR PRO SEP LEU PRO THR PIP 0.409357 0.851852
88 ARG VAL SER PRO SER THR SER TYR THR PRO 0.408805 0.779221
89 ALA ALA ARG KCR SER ALA PRO ALA 0.406977 0.759494
90 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.40678 0.7625
91 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.406593 0.765432
92 ARG PHE PRO LEU THR PHE GLY TRP 0.40625 0.792683
93 ILE SER PRO ARG THR LEU ASP ALA TRP 0.406091 0.817073
94 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.405405 0.777778
95 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.405263 0.810127
96 VAL TYR ILE HIS PRO PHE 0.404908 0.746835
97 PCA PHE ARG HIS ASP SER 0.404762 0.692308
98 ALA THR VAL ARG THR TYR SER CYS 0.403727 0.683544
99 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.403226 0.72619
100 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.403141 0.768293
101 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.402299 0.730769
102 HCI PRO LEU HIS SER TPO ALA NH2 0.402235 0.886076
103 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.402235 0.835443
104 1IP CYS PHE SER LYS PRO ARG 0.402235 0.7875
105 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.402116 0.8125
106 ACE PRO LEU HIS SER TPO 0.401235 0.82716
107 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.401099 0.768293
108 SER LEU PHE HIS 22G THR PRO 0.40107 0.8125
109 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.4 0.8
110 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.4 0.8
111 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.4 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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