Receptor
PDB id Resolution Class Description Source Keywords
3O8I 2 Å EC: 2.7.11.1 STRUCTURE OF 14-3-3 ISOFORM SIGMA IN COMPLEX WITH A C-RAF1 P A STABILIZING SMALL MOLECULE FRAGMENT HOMO SAPIENS PROTEIN-PROTEIN COMPLEX 14-3-3 PROTEIN-PROTEIN INTERACTIONPHOSPHORYLATION PEPTIDE BINDING PROTEIN
Ref.: IMPAIRED BINDING OF 14-3-3 TO C-RAF IN NOONAN SYNDR SUGGESTS NEW APPROACHES IN DISEASES WITH INCREASED SIGNALING MOL.CELL.BIOL. V. 30 4698 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN ARG SER THR SEP THR PRO ASN VAL HIS B:256;
 Valid;
 none;
 submit data
867.784 n/a P(=O)...
M1T A:232;
 Valid;
 none;
 submit data
162.184 C7 H14 O4 COCC(...
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: GLN ARG SER THR SEP THR PRO ASN VAL HIS; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN ARG SER THR SEP THR PRO ASN VAL HIS 1 1
2 LEU LEU CYS SER TPO PRO ASN GLY LEU 0.507042 0.955224
3 MET GLN SER TPO PRO LEU 0.493056 0.9
4 GLN ALA SER TPO PRO ARG NIT 0.484277 0.777778
5 ARG SER ALA SEP GLU PRO SER LEU 0.48366 0.849315
6 GLN ARG SER THR SEP THR 0.470149 0.728571
7 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.466667 0.791667
8 ARG THR PRO SEP LEU PRO THR 0.465753 0.835616
9 ARG THR PRO SEP LEU PRO THR 49F 0.465753 0.835616
10 ASN LEU VAL PRO SER VAL ALA THR VAL 0.464789 0.850746
11 GLY THR SER SER PRO SER ALA ASP 0.455224 0.846154
12 SER HIS SEP SER PRO ALA SER LEU GLN 0.453988 0.887324
13 ASN ASP THR SER GLN THR SER SER PRO SER OPE 0.452229 0.955224
14 ARG VAL ALA SEP PRO THR SER GLY VAL 0.451613 0.887324
15 ARG VAL SER PRO SER THR SER TYR THR PRO 0.45 0.771429
16 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.44898 0.820895
17 ASN LYS ASN ALA ASN SEP SER PRO VAL 0.445946 0.926471
18 ARG SER LEU SEP ALA PRO GLY ASN 0.442953 0.861111
19 SER HIS SEP SER PRO ALA SER LEU 0.442308 0.873239
20 SER THR SEP PRO THR PHE ASN LYS 0.441718 0.955224
21 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.44 0.794872
22 TYR SEP PRO THR SEP PRO SER 0.43662 0.859155
23 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.431034 0.84
24 ARG ARG ALA SEP ALA PRO LEU PRO 0.428571 0.797297
25 SER TYR SER PRO THR SEP PRO SER 0.428571 0.924242
26 ASN LEU VAL PRO THR VAL ALA THR VAL 0.426573 0.820895
27 PRO MET GLN SER TPO PRO LEU 0.425806 0.875
28 GLN ASN TYR PRO ILE VAL GLN 0.423841 0.726027
29 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.423611 0.820895
30 PHE SER ALA PTR PRO SER GLU GLU ASP 0.421053 0.859155
31 LYS PRO SEP GLN GLU LEU 0.42029 0.867647
32 ALA VAL PRO ILE ALA GLN LYS SER GLU 0.41791 0.701493
33 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.417722 0.861111
34 THR GLY VAL ALA LEU THR PRO PRO SER 0.414474 0.823529
35 ASN LEU VAL PRO MET VAL ALA THR VAL 0.414474 0.774648
36 SER GLU CYS THR THR PRO CYS 0.414286 0.848485
37 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.410959 0.768116
38 N7P THR SEP PRO SER TYR SET 0.405229 0.861111
39 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.405063 0.739726
40 ILE THR ASP GLN VAL PRO PHE SER VAL 0.404908 0.8
41 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.402685 0.80597
42 SER SER PHE TYR PRO SEP ALA GLU GLY 0.402516 0.833333
43 ACE MET GLN SER SEP PRO LEU NH2 0.4 0.873239
44 ASP SER THR THR PRO ALA PRO THR NGA 0.4 0.77027
Ligand no: 2; Ligand: M1T; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 M1T 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GLN ARG SER THR SEP THR PRO ASN VAL HIS; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: M1T; Similar ligands found: 200
No: Ligand Similarity coefficient
1 64Z 0.9686
2 011 0.9536
3 OCA 0.9533
4 ENW 0.9507
5 GRQ 0.9451
6 650 0.9450
7 OC9 0.9382
8 GVA 0.9379
9 CIR 0.9370
10 AG2 0.9336
11 58X 0.9326
12 PJL 0.9323
13 7BC 0.9304
14 0L1 0.9236
15 ARG 0.9212
16 LYS 0.9212
17 AE3 0.9211
18 SPD 0.9206
19 BCH 0.9199
20 KQY 0.9182
21 GGB 0.9181
22 OOG 0.9180
23 AHN 0.9177
24 OYA 0.9173
25 HC4 0.9165
26 SHV 0.9161
27 7OD 0.9130
28 4TB 0.9115
29 N6C 0.9113
30 MLZ 0.9111
31 P81 0.9100
32 N8C 0.9095
33 ENV 0.9094
34 PML 0.9089
35 XOG 0.9087
36 TEG 0.9080
37 OCT 0.9073
38 ACA 0.9069
39 GB5 0.9067
40 GLY GLY GLY 0.9063
41 NSD 0.9050
42 492 0.9049
43 3OM 0.9047
44 IAR 0.9046
45 DHM 0.9045
46 KNA 0.9034
47 D10 0.9030
48 JX7 0.9027
49 HPP 0.9026
50 DAR 0.9025
51 92G 0.9015
52 HPN 0.9013
53 11C 0.9010
54 DKA 0.9008
55 HJD 0.9006
56 6XA 0.8997
57 B3M 0.8992
58 DZA 0.8991
59 5TO 0.8986
60 Q9Z 0.8983
61 2FM 0.8983
62 80G 0.8980
63 ONH 0.8978
64 HXY 0.8971
65 OHJ 0.8968
66 3H2 0.8967
67 DIA 0.8945
68 E79 0.8945
69 6SD 0.8942
70 ILO 0.8940
71 9VQ 0.8936
72 TYR 0.8930
73 BHH 0.8928
74 HLP 0.8928
75 EGV 0.8921
76 EQW 0.8915
77 E4P 0.8915
78 KDG 0.8915
79 CLT 0.8915
80 R52 0.8911
81 A5P 0.8910
82 S0W 0.8906
83 YPN 0.8905
84 FXY 0.8897
85 R5P 0.8892
86 AZM 0.8889
87 NTU 0.8888
88 DVQ 0.8882
89 3W8 0.8881
90 7XA 0.8880
91 AHC 0.8878
92 HPL 0.8875
93 9J6 0.8875
94 JA5 0.8874
95 2QC 0.8871
96 A7N 0.8870
97 4DI 0.8867
98 DLT 0.8862
99 LUQ 0.8862
100 EXY 0.8852
101 HNE 0.8852
102 MGB 0.8849
103 6ZX 0.8849
104 VC3 0.8848
105 LX1 0.8848
106 ZZU 0.8846
107 NNH 0.8845
108 BGT 0.8840
109 PPT 0.8839
110 AES 0.8838
111 1X4 0.8835
112 DLY 0.8833
113 MLY 0.8832
114 LPA 0.8827
115 F4K 0.8825
116 5RP 0.8821
117 AJ3 0.8820
118 G3P 0.8820
119 TX4 0.8816
120 8SZ 0.8816
121 ODI 0.8805
122 1N5 0.8804
123 0A9 0.8804
124 BHU 0.8798
125 PBN 0.8796
126 RNO 0.8788
127 MHN 0.8786
128 CPZ 0.8783
129 3OL 0.8781
130 N4E 0.8779
131 RA7 0.8779
132 8AC 0.8778
133 F90 0.8775
134 HOC 0.8772
135 LXP 0.8769
136 1H1 0.8765
137 3GZ 0.8755
138 ENO 0.8754
139 CFA 0.8753
140 SWX 0.8747
141 1HS 0.8745
142 HPO 0.8744
143 BL0 0.8740
144 RES 0.8737
145 7MW 0.8733
146 DTY 0.8728
147 F63 0.8727
148 7C3 0.8722
149 GGG 0.8720
150 NPI 0.8720
151 4BF 0.8717
152 ZYX 0.8715
153 NFZ 0.8712
154 36Y 0.8704
155 DX5 0.8701
156 PFF 0.8700
157 TYE 0.8699
158 PH3 0.8696
159 PSJ 0.8696
160 JAH 0.8694
161 9GB 0.8693
162 2J3 0.8683
163 9J3 0.8683
164 OQC 0.8682
165 LNO 0.8682
166 PMV 0.8681
167 16D 0.8681
168 5SP 0.8677
169 K4V 0.8677
170 AMH 0.8675
171 4CF 0.8675
172 5O6 0.8672
173 C1M 0.8668
174 SS9 0.8668
175 KLE 0.8667
176 37Z 0.8659
177 BHL 0.8658
178 4JE 0.8651
179 3W6 0.8649
180 HIC 0.8646
181 1FD 0.8639
182 NOT 0.8636
183 0A1 0.8636
184 HE4 0.8627
185 PHI 0.8626
186 GC7 0.8626
187 DIR 0.8626
188 B40 0.8623
189 3VQ 0.8621
190 4FE 0.8601
191 3W3 0.8600
192 STX 0.8575
193 MEQ 0.8573
194 A98 0.8573
195 FUD 0.8570
196 DHH 0.8567
197 BHL BHL 0.8566
198 CXP 0.8565
199 88L 0.8564
200 TYC 0.8549
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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