Receptor
PDB id Resolution Class Description Source Keywords
5N5T 1.8 Å EC: 2.7.11.1 14-3-3 SIGMA IN COMPLEX WITH TAZ PS89 PEPTIDE AND FRAGMENT N HOMO SAPIENS 14-3-3 TAZ FRAGMENT FBDD PROTEIN BINDING
Ref.: IDENTIFICATION OF TWO SECONDARY LIGAND BINDING SITE 14-3-3 PROTEINS USING FRAGMENT SCREENING. BIOCHEMISTRY V. 56 3972 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8OB A:304;
 Valid;
 none;
 submit data
256.085 C11 H7 Cl2 N O2 c1cc(...
MG A:301;
A:302;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
CL A:303;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
SER HIS SEP SER PRO ALA SER LEU P:87;
 Valid;
 Atoms found LESS than expected: % Diff = 0.017;
 submit data
847.797 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HHP 1.8 Å EC: 2.7.11.1 TERNARY COMPLEX OF ESTROGEN RECEPTOR ALPHA PEPTIDE AND 14-3- C42 MUTANT BOUND TO DISULFIDE FRAGMENT PPI STABILIZER 1 HOMO SAPIENS PROTEIN-PROTEIN INTERACTION FRAGMENT STABILIZER PROTEIN B
Ref.: SITE-DIRECTED FRAGMENT-BASED SCREENING FOR THE DISC PROTEIN-PROTEIN INTERACTION STABILIZERS. J. AM. CHEM. SOC. V. 141 3524 2019
Members (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 6Y3W - LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 O85 n/a n/a
2 6HKB - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
3 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
4 5BTV Kd = 140 uM GLY SEP LEU GLY n/a n/a
5 6W0L - ALA ARG VAL SER MET ARG ARG MET SEP ASN n/a n/a
6 6XWD Kd = 2.18 uM ASN LYS ASN ALA ASN SEP SER PRO VAL n/a n/a
7 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
8 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
9 6FBB - SER ARG SEP SER PRO n/a n/a
10 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
11 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
12 6Y3M - GLN SER TYR TPO VAL n/a n/a
13 6HHP Kd = 32 nM ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
14 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
15 6Y3S - ASN ALA ARG SER ALA SEP PHE SER GLN GLY n/a n/a
16 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
17 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
18 6Y8A - ARG SER LEU SEP ALA PRO GLY ASN n/a n/a
19 6Y8E - ARG SER PHE SEP GLU PRO PHE GLY n/a n/a
20 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
21 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
22 6HN2 - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
23 6Y58 Kd = 15.8 uM VAL TYR ARG SER LEU SEP PHE GLU n/a n/a
24 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
25 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
26 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
27 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
28 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
29 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
30 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
31 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
32 6HMT Kd = 92 nM ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
33 6Y1D - LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 n/a n/a
34 6XY5 - LYS ARG ARG ARG LYS SEP CYS GLN ALA O4E n/a n/a
35 3O8I - M1T C7 H14 O4 COCC(=O)CC....
36 6Y18 - LYS ARG ARG ARG LYS SEP CYS GLN ALA O68 n/a n/a
37 6TJM - NE5 C24 H16 N2 O8 c1ccc(cc1)....
38 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
39 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
40 6HKF - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
41 6Y3O - ARG LYS LEU SEP LEU GLN GLU ARG n/a n/a
42 6Y8D - VAL GLU HIS SEP LEU ASP ASN LYS n/a n/a
43 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
44 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
45 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
46 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
47 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
48 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
49 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
50 6Y8B - TYR ASP LEU SEP LEU PRO PHE PRO n/a n/a
51 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
52 3IQU - GLN ARG SER THR SEP THR n/a n/a
53 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
54 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
55 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
56 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
57 6HMU - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
58 6XXC - LYS ARG ARG ARG LYS SEP CYS GLN ALA O3W n/a n/a
59 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
60 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
61 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
62 6TL3 - NJW C24 H17 N3 O7 c1ccc(cc1)....
63 6FAU Kd = 3.6 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
70% Homology Family (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 6Y3W - LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 O85 n/a n/a
2 6HKB - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
3 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
4 5BTV Kd = 140 uM GLY SEP LEU GLY n/a n/a
5 6W0L - ALA ARG VAL SER MET ARG ARG MET SEP ASN n/a n/a
6 6XWD Kd = 2.18 uM ASN LYS ASN ALA ASN SEP SER PRO VAL n/a n/a
7 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
8 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
9 6FBB - SER ARG SEP SER PRO n/a n/a
10 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
11 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
12 6Y3M - GLN SER TYR TPO VAL n/a n/a
13 6HHP Kd = 32 nM ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
14 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
15 6Y3S - ASN ALA ARG SER ALA SEP PHE SER GLN GLY n/a n/a
16 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
17 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
18 6Y8A - ARG SER LEU SEP ALA PRO GLY ASN n/a n/a
19 6Y8E - ARG SER PHE SEP GLU PRO PHE GLY n/a n/a
20 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
21 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
22 6HN2 - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
23 6Y58 Kd = 15.8 uM VAL TYR ARG SER LEU SEP PHE GLU n/a n/a
24 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
25 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
26 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
27 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
28 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
29 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
30 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
31 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
32 6HMT Kd = 92 nM ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
33 6Y1D - LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 n/a n/a
34 6XY5 - LYS ARG ARG ARG LYS SEP CYS GLN ALA O4E n/a n/a
35 3O8I - M1T C7 H14 O4 COCC(=O)CC....
36 6Y18 - LYS ARG ARG ARG LYS SEP CYS GLN ALA O68 n/a n/a
37 6TJM - NE5 C24 H16 N2 O8 c1ccc(cc1)....
38 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
39 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
40 6HKF - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
41 6Y3O - ARG LYS LEU SEP LEU GLN GLU ARG n/a n/a
42 6Y8D - VAL GLU HIS SEP LEU ASP ASN LYS n/a n/a
43 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
44 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
45 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
46 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
47 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
48 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
49 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
50 6Y8B - TYR ASP LEU SEP LEU PRO PHE PRO n/a n/a
51 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
52 3IQU - GLN ARG SER THR SEP THR n/a n/a
53 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
54 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
55 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
56 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
57 6HMU - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
58 6XXC - LYS ARG ARG ARG LYS SEP CYS GLN ALA O3W n/a n/a
59 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
60 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
61 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
62 6TL3 - NJW C24 H17 N3 O7 c1ccc(cc1)....
63 6FAU Kd = 3.6 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
64 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
65 6FNA - DWE C50 H66 N6 O20 P2 c1ccc(c(c1....
66 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
67 1QJA Kd = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
68 6FNC - DWK C40 H48 N4 O15 P2 c1ccc(c(c1....
69 6FN9 ic50 = 284 uM DW8 C27 H38 N3 O10 P CCCNC(=O)C....
70 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
71 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
72 6FNB - DWQ C59 H84 N6 O22 P2 c1ccc(c(c1....
73 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
74 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
75 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
76 5NWI Kd = 0.69 uM TYR PHE SER SEP ASN n/a n/a
77 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
78 5NWJ - HIS LEU TYR PHE SER SEP ASN n/a n/a
79 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
50% Homology Family (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 6Y3W - LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 O85 n/a n/a
2 6HKB - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
3 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
4 5BTV Kd = 140 uM GLY SEP LEU GLY n/a n/a
5 6W0L - ALA ARG VAL SER MET ARG ARG MET SEP ASN n/a n/a
6 6XWD Kd = 2.18 uM ASN LYS ASN ALA ASN SEP SER PRO VAL n/a n/a
7 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
8 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
9 6FBB - SER ARG SEP SER PRO n/a n/a
10 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
11 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
12 6Y3M - GLN SER TYR TPO VAL n/a n/a
13 6HHP Kd = 32 nM ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
14 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
15 6Y3S - ASN ALA ARG SER ALA SEP PHE SER GLN GLY n/a n/a
16 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
17 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
18 6Y8A - ARG SER LEU SEP ALA PRO GLY ASN n/a n/a
19 6Y8E - ARG SER PHE SEP GLU PRO PHE GLY n/a n/a
20 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
21 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
22 6HN2 - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
23 6Y58 Kd = 15.8 uM VAL TYR ARG SER LEU SEP PHE GLU n/a n/a
24 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
25 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
26 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
27 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
28 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
29 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
30 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
31 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
32 6HMT Kd = 92 nM ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
33 6Y1D - LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 n/a n/a
34 6XY5 - LYS ARG ARG ARG LYS SEP CYS GLN ALA O4E n/a n/a
35 3O8I - M1T C7 H14 O4 COCC(=O)CC....
36 6Y18 - LYS ARG ARG ARG LYS SEP CYS GLN ALA O68 n/a n/a
37 6TJM - NE5 C24 H16 N2 O8 c1ccc(cc1)....
38 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
39 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
40 6HKF - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
41 6Y3O - ARG LYS LEU SEP LEU GLN GLU ARG n/a n/a
42 6Y8D - VAL GLU HIS SEP LEU ASP ASN LYS n/a n/a
43 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
44 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
45 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
46 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
47 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
48 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
49 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
50 6Y8B - TYR ASP LEU SEP LEU PRO PHE PRO n/a n/a
51 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
52 3IQU - GLN ARG SER THR SEP THR n/a n/a
53 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
54 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
55 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
56 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
57 6HMU - ALA GLU GLY PHE PRO ALA TPO VAL n/a n/a
58 6XXC - LYS ARG ARG ARG LYS SEP CYS GLN ALA O3W n/a n/a
59 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
60 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
61 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
62 6TL3 - NJW C24 H17 N3 O7 c1ccc(cc1)....
63 6FAU Kd = 3.6 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
64 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
65 6FNA - DWE C50 H66 N6 O20 P2 c1ccc(c(c1....
66 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
67 1QJA Kd = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
68 6FNC - DWK C40 H48 N4 O15 P2 c1ccc(c(c1....
69 6FN9 ic50 = 284 uM DW8 C27 H38 N3 O10 P CCCNC(=O)C....
70 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
71 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
72 6FNB - DWQ C59 H84 N6 O22 P2 c1ccc(c(c1....
73 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
74 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
75 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
76 5NWI Kd = 0.69 uM TYR PHE SER SEP ASN n/a n/a
77 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
78 5NWJ - HIS LEU TYR PHE SER SEP ASN n/a n/a
79 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8OB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 8OB 1 1
2 8OE 0.673913 0.777778
3 O0D 0.589286 0.833333
Ligand no: 2; Ligand: SER HIS SEP SER PRO ALA SER LEU; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 SER HIS SEP SER PRO ALA SER LEU 1 1
2 SER HIS SEP SER PRO ALA SER LEU GLN 0.819549 0.985714
3 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.734848 0.985714
4 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.693333 0.932432
5 ARG SER ALA SEP GLU PRO SER LEU 0.546667 0.866667
6 ALA ARG SER HIS SEP TYR PRO ALA 0.52795 0.858974
7 HIS HIS ALA SER PRO ARG LYS 0.522876 0.783784
8 ARG LEU TYR HIS SEP LEU PRO ALA 0.515337 0.871795
9 VAL GLU HIS SEP LEU ASP ASN LYS 0.5 0.802817
10 ACE PRO LEU HIS SER TPO ALA NH2 0.47619 0.958333
11 ACE PRO LEU HIS SER TPO 0.465278 0.931507
12 ACE PRO LEU HIS SER TPO MET NH2 0.454545 0.92
13 LYS PRO HIS SER ASP 0.448276 0.816901
14 SER ARG ASP HIS SER ARG THR PRO MET 0.447059 0.775
15 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.442308 0.873239
16 ACE ASP PRO PRO LEU HIS SER TPO ALA NH2 0.440252 0.985714
17 TYR TYR SER ILE ILE PRO HIS SER ILE 0.4375 0.792208
18 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.436709 0.783784
19 TYR TYR SER ILE ALA PRO HIS SER ILE 0.435583 0.792208
20 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.435374 0.777778
21 SER HIS PRO ARG PRO ILE ARG VAL 0.434783 0.84
22 LYS ARG ARG ARG HIS PRO SER GLY 0.433121 0.797297
23 HCI PRO LEU HIS SER TPO ALA NH2 0.432927 0.945205
24 ASN LYS ASN ALA ASN SEP SER PRO VAL 0.431373 0.915493
25 MET HIS PRO ALA GLN THR SER GLN TRP 0.430168 0.772152
26 PHE SER HIS PRO GLN ASN THR 0.428571 0.797297
27 ARG SER LEU SEP ALA PRO GLY ASN 0.428571 0.853333
28 GLU ALA ASP PRO THR GLY HIS SER TYR 0.427746 0.789474
29 PRO PRO HIS SER TPO 0.426667 0.929577
30 LYS ARG ARG ARG HIS PRO SER 0.425806 0.780822
31 ACE PRO LEU HIS SER TPO MET NH2 ADM 0.422619 0.8625
32 ACE PHE HIS PRO ALA NH2 0.422535 0.722222
33 SER SER CYS PRO LEU SER LYS 0.416667 0.814286
34 SER MET PRO GLU LEU SER PRO VAL LEU 0.416107 0.773333
35 5PV ACE PRO LEU HIS SER TPO MET NH2 LYT 0.411111 0.907895
36 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.410714 0.76
37 HIS SER ILE THR TYR LEU LEU PRO VAL 0.409357 0.815789
38 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.409091 0.74359
39 PHE SER ALA PTR PRO SER GLU GLU ASP 0.407643 0.826667
40 DHI PRO PHE HIS LEU LEU VAL TYR 0.406977 0.736842
41 THR PRO SEP LEU PRO DAL 60H 0.406452 0.864865
42 SER THR SEP PRO THR PHE ASN LYS 0.403509 0.888889
43 TYR SEP PRO THR SEP PRO SER 0.402685 0.851351
44 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.402235 0.780822
45 SER ARG SEP SER PRO 0.401408 0.821918
46 MET GLN SER TPO PRO LEU 0.401274 0.84
47 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.401198 0.846154
48 ARG SEP PRO VAL PHE SER 0.4 0.851351
49 HIS LEU TYR PHE SER SEP ASN 0.4 0.766234
Similar Ligands (3D)
Ligand no: 1; Ligand: 8OB; Similar ligands found: 374
No: Ligand Similarity coefficient
1 DCN 0.9913
2 TCL 0.9799
3 C6Z 0.9769
4 FB4 0.9670
5 TCC 0.9669
6 CH8 0.9668
7 J47 0.9660
8 4EU 0.9656
9 MJ5 0.9653
10 FPL 0.9609
11 E9P 0.9525
12 FT2 0.9523
13 FT3 0.9508
14 848 0.9499
15 CUT 0.9483
16 YUG 0.9467
17 FT1 0.9463
18 S0F 0.9432
19 H48 0.9423
20 C0H 0.9392
21 A8K 0.9384
22 A7Q 0.9368
23 DBE 0.9358
24 7R4 0.9349
25 HX8 0.9344
26 3IP 0.9343
27 JFS 0.9343
28 43F 0.9327
29 22F 0.9327
30 SLY 0.9324
31 HXY 0.9317
32 TPM 0.9297
33 4WF 0.9297
34 N2Y 0.9293
35 ERZ 0.9292
36 FCW 0.9274
37 TH4 0.9266
38 WCU 0.9248
39 D1Y 0.9244
40 ENG 0.9240
41 Q9P 0.9237
42 7VF 0.9236
43 2OH 0.9235
44 CUH 0.9228
45 27M 0.9225
46 4FP 0.9223
47 M01 0.9220
48 XYP XDN 0.9218
49 XIF XYP 0.9215
50 JA3 0.9212
51 XDN XYP 0.9209
52 69K 0.9196
53 16Z 0.9189
54 OJD 0.9188
55 6J5 0.9185
56 4NR 0.9177
57 EQW 0.9173
58 A7K 0.9171
59 XDL XYP 0.9167
60 XYP XIF 0.9159
61 S46 0.9158
62 PV4 0.9156
63 FMQ 0.9155
64 4MP 0.9154
65 CUQ 0.9153
66 S1D 0.9152
67 KWB 0.9151
68 C82 0.9151
69 JSX 0.9149
70 SOJ 0.9144
71 3QO 0.9141
72 LTT 0.9141
73 DFL 0.9139
74 5R8 0.9130
75 VIB 0.9129
76 YIE 0.9124
77 A18 0.9123
78 0OY 0.9120
79 W1G 0.9118
80 A6H 0.9118
81 11X 0.9115
82 A4V 0.9110
83 LL2 0.9106
84 Q5M 0.9105
85 AYS 0.9101
86 QME 0.9082
87 VBC 0.9081
88 9JH 0.9078
89 9VQ 0.9072
90 MW5 0.9071
91 BPY 0.9070
92 2JX 0.9068
93 22L 0.9066
94 TOH 0.9065
95 7ZO 0.9064
96 YIP 0.9063
97 G8V 0.9060
98 XYP XYP 0.9058
99 1KN 0.9057
100 KUP 0.9057
101 P2L 0.9057
102 AKD 0.9056
103 3VW 0.9055
104 8UY 0.9049
105 XIL 0.9048
106 M02 0.9048
107 K80 0.9042
108 BGK 0.9036
109 TQL 0.9034
110 TRP 0.9033
111 5DE 0.9031
112 URI 0.9028
113 0QV 0.9028
114 0OL 0.9027
115 XYS XYS 0.9025
116 FT6 0.9021
117 AVA 0.9017
118 LJ4 0.9013
119 BZQ 0.9009
120 WL3 0.9006
121 KP2 0.9004
122 EAT 0.9001
123 HHV 0.8998
124 U4J 0.8998
125 KYN 0.8998
126 9AG 0.8981
127 PW1 0.8981
128 3TC 0.8980
129 3DE 0.8975
130 9W5 0.8974
131 AVX 0.8973
132 ENO 0.8964
133 GXD 0.8960
134 JF5 0.8958
135 GXG 0.8957
136 LTN 0.8956
137 JD7 0.8954
138 DFV 0.8954
139 6SY 0.8952
140 54F 0.8952
141 GNW 0.8950
142 AUV 0.8948
143 FNA 0.8946
144 CC7 0.8945
145 B5A 0.8944
146 5NR 0.8943
147 4Z9 0.8942
148 TI7 0.8941
149 2J5 0.8939
150 2UB 0.8939
151 1OH 0.8934
152 CC5 0.8934
153 DUR 0.8931
154 9PL 0.8930
155 EXG 0.8929
156 QTV 0.8927
157 15Q 0.8924
158 N9J 0.8922
159 9W7 0.8916
160 IQQ 0.8915
161 GJG 0.8914
162 3IL 0.8914
163 YE6 0.8913
164 L5D 0.8913
165 LOX XYP 0.8904
166 92O 0.8903
167 NAL 0.8903
168 XYP XYS 0.8902
169 7ZL 0.8901
170 TYR 0.8901
171 7L4 0.8900
172 5E4 0.8897
173 LVP 0.8896
174 78U 0.8896
175 TYC 0.8894
176 12R 0.8893
177 3WJ 0.8890
178 ID8 0.8885
179 XI7 0.8882
180 PQT 0.8873
181 HA6 0.8870
182 PIR 0.8869
183 CTN 0.8868
184 YOF 0.8868
185 DCZ 0.8867
186 G14 0.8863
187 6DE 0.8863
188 1BN 0.8862
189 B4O 0.8862
190 CW6 0.8861
191 BZM 0.8861
192 PFF 0.8860
193 BIE 0.8860
194 ELH 0.8859
195 BXZ 0.8856
196 HMZ 0.8856
197 MMS 0.8855
198 5TO 0.8855
199 WVV 0.8854
200 ITW 0.8853
201 TYP 0.8852
202 Q8D 0.8846
203 C0W 0.8844
204 6J9 0.8843
205 PYU 0.8842
206 CBE 0.8841
207 DTR 0.8841
208 B41 0.8840
209 C93 0.8839
210 50Q 0.8839
211 977 0.8839
212 92G 0.8838
213 AED 0.8836
214 6J3 0.8832
215 FHI 0.8832
216 M6H 0.8831
217 6C5 0.8827
218 FTV 0.8827
219 DBS 0.8826
220 EMU 0.8825
221 EF2 0.8820
222 9FH 0.8817
223 HO6 0.8817
224 BDJ 0.8816
225 XYS XYP 0.8816
226 THM 0.8815
227 AJD 0.8814
228 4BF 0.8813
229 LVY 0.8813
230 AX4 0.8813
231 DAH 0.8813
232 96Z 0.8812
233 Q4G 0.8811
234 0OP 0.8807
235 MEX 0.8807
236 L3L 0.8807
237 NAR 0.8806
238 SBK 0.8804
239 M2E 0.8801
240 RVE 0.8800
241 H35 0.8799
242 4K2 0.8796
243 OA1 0.8796
244 FY8 0.8795
245 X6P 0.8794
246 AZY 0.8791
247 4L2 0.8788
248 5AD 0.8787
249 F63 0.8782
250 JPB 0.8782
251 DTY 0.8779
252 Q8G 0.8779
253 FCD 0.8778
254 CMU 0.8778
255 BP3 0.8776
256 H7S 0.8775
257 9JT 0.8775
258 I2E 0.8772
259 2B4 0.8770
260 EV2 0.8770
261 AGI 0.8768
262 DHC 0.8765
263 M5E 0.8761
264 6WS 0.8757
265 CHV 0.8755
266 HWD 0.8755
267 CFA 0.8751
268 F4U 0.8751
269 TCT 0.8750
270 PPY 0.8748
271 TOM 0.8743
272 3W1 0.8743
273 CTE 0.8739
274 Q2S 0.8739
275 1YO 0.8737
276 2GA 0.8736
277 MP5 0.8735
278 HLP 0.8735
279 IOP 0.8731
280 9F8 0.8726
281 7VY 0.8726
282 0OO 0.8726
283 ZEA 0.8724
284 TZM 0.8723
285 QTD 0.8720
286 36M 0.8720
287 PFT 0.8719
288 EYY 0.8714
289 X29 0.8714
290 CHQ 0.8712
291 C4F 0.8712
292 MUX 0.8707
293 H3W 0.8706
294 0K7 0.8706
295 JPQ 0.8705
296 613 0.8704
297 JE7 0.8703
298 CQW 0.8701
299 AWE 0.8699
300 2LT 0.8698
301 B4L 0.8696
302 R7T 0.8694
303 F90 0.8691
304 XDK 0.8689
305 50C 0.8682
306 QC1 0.8679
307 CDY 0.8676
308 LR2 0.8676
309 BC3 0.8673
310 ADN 0.8672
311 RQD 0.8672
312 67Y 0.8671
313 R9J 0.8670
314 BZS 0.8667
315 2L1 0.8667
316 0OK 0.8667
317 S0G 0.8667
318 MZR 0.8662
319 RE4 0.8660
320 4CF 0.8657
321 5I5 0.8657
322 68B 0.8653
323 PLP 0.8652
324 5WK 0.8645
325 LP8 0.8645
326 HJH 0.8645
327 5R9 0.8642
328 3B4 0.8640
329 NFA 0.8638
330 KLV 0.8631
331 LVD 0.8630
332 1U7 0.8630
333 FUZ 0.8629
334 D8Y 0.8629
335 NOS 0.8623
336 TGW 0.8620
337 56D 0.8620
338 TYE 0.8619
339 N1E 0.8617
340 PMP 0.8614
341 IWH 0.8613
342 HNL 0.8611
343 HNK 0.8611
344 KHP 0.8607
345 42R 0.8606
346 I5A 0.8605
347 FWD 0.8602
348 J27 0.8597
349 H4B 0.8593
350 NIY 0.8592
351 TVZ 0.8580
352 5WS 0.8579
353 BP6 0.8578
354 5YA 0.8576
355 EYV 0.8576
356 3AD 0.8574
357 7G1 0.8574
358 A4N 0.8570
359 B21 0.8568
360 JOB 0.8568
361 G6P 0.8567
362 IWD 0.8566
363 5FL 0.8561
364 5O6 0.8561
365 LI4 0.8558
366 BWD 0.8557
367 IMH 0.8556
368 9ME 0.8546
369 6HO 0.8545
370 PHE 0.8542
371 EAJ 0.8542
372 BQ5 0.8538
373 LLG 0.8532
374 1PS 0.8523
Ligand no: 2; Ligand: SER HIS SEP SER PRO ALA SER LEU; 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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