Receptor
PDB id Resolution Class Description Source Keywords
4Y32 1.7 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF C-TERMINAL MODIFIED TAU PEPTIDE-HYBRID 14-3-3SIGMA HOMO SAPIENS PEPTIDE-HYBRID INHIBITOR PROTEIN-PROTEIN INTERACTION PEPTBINDING PROTEIN ADAPTER PROTEIN 14-3-3 SIGNALING PROTEIN
Ref.: STABILIZER-GUIDED INHIBITION OF PROTEIN-PROTEIN INTERACTIONS. ANGEW.CHEM.INT.ED.ENGL. V. 54 15720 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG THR PRO SEP LEU PRO THR 49F C:211;
 Valid;
 none;
 ic50 = 90.1 uM
965.077 n/a P(=O)...
ARG THR PRO SEP LEU PRO THR D:212;
 Valid;
 Atoms found LESS than expected: % Diff = 0.207;
 submit data
834.866 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: ARG THR PRO SEP LEU PRO THR 49F; Similar ligands found: 84
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG THR PRO SEP LEU PRO THR 1 1
2 ARG THR PRO SEP LEU PRO THR 49F 1 1
3 ACE ARG THR PRO SEP LEU PRO THR PIP 0.671875 0.945946
4 ARG THR PRO SEP LEU PRO GLY D4K 0.659864 0.897436
5 ACE ARG THR PRO SEP LEU PRO THR 60H 0.601399 0.933333
6 ARG ARG ALA SEP ALA PRO LEU PRO 0.585185 0.957747
7 ARG LEU TYR HIS SEP LEU PRO ALA 0.573333 0.909091
8 ARG SER LEU SEP ALA PRO GLY ASN 0.571429 0.917808
9 ACE ARG THR PRO SEP LEU PRO GLY D3Q 0.554878 0.886076
10 ACE ARG THR PRO SEP LEU PRO GLY D4H 0.553459 0.921053
11 ARG SER ALA SEP GLU PRO SER LEU 0.545455 0.931507
12 ACE ARG THR PRO SEP LEU PRO GLY D3W 0.537037 0.875
13 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.518519 0.871795
14 ARG SEP PRO VAL PHE SER 0.517241 0.916667
15 ACE ARG THR PRO SEP LEU PRO GLY D3K 0.514793 0.843373
16 ARG VAL ALA SEP PRO THR SER GLY VAL 0.510345 0.917808
17 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.5 0.819444
18 THR PRO SEP LEU PRO DAL 60H 0.5 0.853333
19 SER ALA PRO ASP THR ARG PRO ALA 0.485714 0.837838
20 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.482993 0.916667
21 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.481707 0.92
22 THR PRO SEP LEU PRO GLY D4H 0.47973 0.844156
23 ARG PRO LYS PRO LEU VAL ASP PRO 0.477273 0.828571
24 GLU ARG THR ILE PRO ILE THR ARG GLU 0.474453 0.847222
25 LEU ASP PRO ARG 0.46875 0.791667
26 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.468085 0.849315
27 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.467105 0.826667
28 ARG ALA ILE SEP LEU PRO 0.466667 0.833333
29 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.465753 0.835616
30 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.463576 0.891892
31 THR PRO SEP LEU PRO GLY D3W 0.457516 0.802469
32 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.45679 0.7875
33 ARG THR PHE SER PRO THR TYR GLY LEU 0.455696 0.797468
34 ARG VAL ALA SER PRO THR SER GLY VAL 0.454545 0.835616
35 LYS PRO VAL LEU ARG THR ALA 0.451389 0.847222
36 THR PRO SEP LEU PRO GLY D3Q 0.451219 0.8375
37 ALA PHE ARG ILE PRO LEU THR ARG 0.45098 0.826667
38 LYS PRO SEP GLN GLU LEU 0.450382 0.821918
39 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.44898 0.807692
40 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.444444 0.828571
41 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.442953 0.808219
42 ALA ARG SER HIS SEP TYR PRO ALA 0.441718 0.871795
43 DPN PRO DAR DTH NH2 0.440298 0.780822
44 THR PRO SEP LEU PRO GLY D3K 0.440252 0.77381
45 DTY ILE ARG LEU LPD 0.439716 0.786667
46 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.439189 0.821918
47 ALA PRO ASP THR ARG PRO ALA PRO 0.438849 0.824324
48 ALA MET ALA PRO ARG THR LEU LEU LEU 0.438356 0.792208
49 SER TYR SER PRO THR SEP PRO SER 0.4375 0.873239
50 SER ARG SEP SER PRO 0.435115 0.887324
51 ASP SER THR THR PRO ALA PRO THR 0.433333 0.708333
52 TYR ASP LEU SEP LEU PRO PHE PRO 0.43038 0.820513
53 ARG PHE PRO LEU THR PHE GLY TRP 0.429412 0.78481
54 5JP PRO LYS ARG ILE ALA 0.428571 0.797297
55 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.428571 0.794872
56 PRO SEP LEU PRO DVA 60H 0.428571 0.851351
57 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.427632 0.776316
58 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.425 0.776316
59 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.424581 0.853659
60 ASN ARG PRO ILE LEU SER LEU 0.423611 0.813333
61 ARG PRO LYS ARG ILE ALA 0.422535 0.791667
62 SER THR SEP PRO THR PHE ASN LYS 0.42236 0.826667
63 ASP LEU THR ARG PRO 0.422222 0.835616
64 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.421769 0.833333
65 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.421384 0.863014
66 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.421384 0.773333
67 THR PRO ARG ARG SER MLZ SER ALA 0.417266 0.826667
68 MET CYS PRO ARG MET THR ALA VAL MET 0.416667 0.815789
69 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.416667 0.729412
70 TYR SEP PRO THR SEP PRO SER 0.414286 0.815789
71 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.413333 0.824324
72 ARG TYR PRO LEU THR PHE GLY TRP 0.412429 0.765432
73 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.411765 0.84
74 LYS LEU THR PRO LEU CYS VAL THR LEU 0.406897 0.767123
75 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.406667 0.773333
76 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.405405 0.849315
77 SER LEU ILE PRO TPO PRO ASP LYS 0.405229 0.878378
78 ILE SER PRO ARG THR LEU ASP ALA TRP 0.404494 0.810127
79 VAL PRO LEU ARG PRO MET THR TYR 0.403727 0.7875
80 ARG ARG ARG GLU ARG SER PRO THR ARG 0.402685 0.821918
81 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.402516 0.773333
82 GLN ALA SER TPO PRO ARG NIT 0.402439 0.829268
83 SER PRO LYS ARG ILE ALA 0.4 0.819444
84 ALA ARG MLZ SER ALA PRO ALA THR 0.4 0.815789
Ligand no: 2; Ligand: ARG THR PRO SEP LEU PRO THR; Similar ligands found: 84
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG THR PRO SEP LEU PRO THR 1 1
2 ARG THR PRO SEP LEU PRO THR 49F 1 1
3 ACE ARG THR PRO SEP LEU PRO THR PIP 0.671875 0.945946
4 ARG THR PRO SEP LEU PRO GLY D4K 0.659864 0.897436
5 ACE ARG THR PRO SEP LEU PRO THR 60H 0.601399 0.933333
6 ARG ARG ALA SEP ALA PRO LEU PRO 0.585185 0.957747
7 ARG LEU TYR HIS SEP LEU PRO ALA 0.573333 0.909091
8 ARG SER LEU SEP ALA PRO GLY ASN 0.571429 0.917808
9 ACE ARG THR PRO SEP LEU PRO GLY D3Q 0.554878 0.886076
10 ACE ARG THR PRO SEP LEU PRO GLY D4H 0.553459 0.921053
11 ARG SER ALA SEP GLU PRO SER LEU 0.545455 0.931507
12 ACE ARG THR PRO SEP LEU PRO GLY D3W 0.537037 0.875
13 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.518519 0.871795
14 ARG SEP PRO VAL PHE SER 0.517241 0.916667
15 ACE ARG THR PRO SEP LEU PRO GLY D3K 0.514793 0.843373
16 ARG VAL ALA SEP PRO THR SER GLY VAL 0.510345 0.917808
17 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.5 0.819444
18 THR PRO SEP LEU PRO DAL 60H 0.5 0.853333
19 SER ALA PRO ASP THR ARG PRO ALA 0.485714 0.837838
20 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.482993 0.916667
21 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.481707 0.92
22 THR PRO SEP LEU PRO GLY D4H 0.47973 0.844156
23 ARG PRO LYS PRO LEU VAL ASP PRO 0.477273 0.828571
24 GLU ARG THR ILE PRO ILE THR ARG GLU 0.474453 0.847222
25 LEU ASP PRO ARG 0.46875 0.791667
26 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.468085 0.849315
27 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.467105 0.826667
28 ARG ALA ILE SEP LEU PRO 0.466667 0.833333
29 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.465753 0.835616
30 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.463576 0.891892
31 THR PRO SEP LEU PRO GLY D3W 0.457516 0.802469
32 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.45679 0.7875
33 ARG THR PHE SER PRO THR TYR GLY LEU 0.455696 0.797468
34 ARG VAL ALA SER PRO THR SER GLY VAL 0.454545 0.835616
35 LYS PRO VAL LEU ARG THR ALA 0.451389 0.847222
36 THR PRO SEP LEU PRO GLY D3Q 0.451219 0.8375
37 ALA PHE ARG ILE PRO LEU THR ARG 0.45098 0.826667
38 LYS PRO SEP GLN GLU LEU 0.450382 0.821918
39 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.44898 0.807692
40 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.444444 0.828571
41 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.442953 0.808219
42 ALA ARG SER HIS SEP TYR PRO ALA 0.441718 0.871795
43 DPN PRO DAR DTH NH2 0.440298 0.780822
44 THR PRO SEP LEU PRO GLY D3K 0.440252 0.77381
45 DTY ILE ARG LEU LPD 0.439716 0.786667
46 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.439189 0.821918
47 ALA PRO ASP THR ARG PRO ALA PRO 0.438849 0.824324
48 ALA MET ALA PRO ARG THR LEU LEU LEU 0.438356 0.792208
49 SER TYR SER PRO THR SEP PRO SER 0.4375 0.873239
50 SER ARG SEP SER PRO 0.435115 0.887324
51 ASP SER THR THR PRO ALA PRO THR 0.433333 0.708333
52 TYR ASP LEU SEP LEU PRO PHE PRO 0.43038 0.820513
53 ARG PHE PRO LEU THR PHE GLY TRP 0.429412 0.78481
54 5JP PRO LYS ARG ILE ALA 0.428571 0.797297
55 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.428571 0.794872
56 PRO SEP LEU PRO DVA 60H 0.428571 0.851351
57 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.427632 0.776316
58 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.425 0.776316
59 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.424581 0.853659
60 ASN ARG PRO ILE LEU SER LEU 0.423611 0.813333
61 ARG PRO LYS ARG ILE ALA 0.422535 0.791667
62 SER THR SEP PRO THR PHE ASN LYS 0.42236 0.826667
63 ASP LEU THR ARG PRO 0.422222 0.835616
64 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.421769 0.833333
65 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.421384 0.863014
66 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.421384 0.773333
67 THR PRO ARG ARG SER MLZ SER ALA 0.417266 0.826667
68 MET CYS PRO ARG MET THR ALA VAL MET 0.416667 0.815789
69 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.416667 0.729412
70 TYR SEP PRO THR SEP PRO SER 0.414286 0.815789
71 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.413333 0.824324
72 ARG TYR PRO LEU THR PHE GLY TRP 0.412429 0.765432
73 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.411765 0.84
74 LYS LEU THR PRO LEU CYS VAL THR LEU 0.406897 0.767123
75 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.406667 0.773333
76 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.405405 0.849315
77 SER LEU ILE PRO TPO PRO ASP LYS 0.405229 0.878378
78 ILE SER PRO ARG THR LEU ASP ALA TRP 0.404494 0.810127
79 VAL PRO LEU ARG PRO MET THR TYR 0.403727 0.7875
80 ARG ARG ARG GLU ARG SER PRO THR ARG 0.402685 0.821918
81 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.402516 0.773333
82 GLN ALA SER TPO PRO ARG NIT 0.402439 0.829268
83 SER PRO LYS ARG ILE ALA 0.4 0.819444
84 ALA ARG MLZ SER ALA PRO ALA THR 0.4 0.815789
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG THR PRO SEP LEU PRO THR 49F; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: ARG THR PRO SEP LEU PRO THR; 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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