Receptor
PDB id Resolution Class Description Source Keywords
4Y3B 1.8 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF C-TERMINAL MODIFIED TAU PEPTIDE-HYBRID 14-3-3SIGMA HOMO SAPIENS 14-3-3 FOLD TAU ALL ALPHA-HELICAL ADAPTER PROTEIN PROTEIINTERACTION PEPTIDE BINDING PROTEIN 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 C:211;
D:212;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.017;
Atoms found LESS than expected: % Diff = 0.207;
submit data
834.866 n/a P(=O)...
49F C:301;
Valid;
none;
ic50 = 90.1 uM
129.2 C7 H15 N O 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: 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
Ligand no: 2; Ligand: 49F; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 49F 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG THR PRO SEP LEU PRO THR; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: 49F; Similar ligands found: 527
No: Ligand Similarity coefficient
1 NIZ 0.9830
2 BHO 0.9809
3 ISZ 0.9792
4 CFI 0.9771
5 HSM 0.9741
6 JZ5 0.9731
7 FAN 0.9723
8 PBC 0.9705
9 BEZ 0.9679
10 PEL 0.9679
11 268 0.9677
12 OAA 0.9662
13 PEA 0.9661
14 BNF 0.9653
15 HY1 0.9650
16 CEE 0.9643
17 BAM 0.9629
18 N4B 0.9623
19 HSO 0.9621
20 PRA 0.9618
21 MNN 0.9599
22 XBT 0.9596
23 TZL 0.9596
24 IZC 0.9590
25 OGA 0.9581
26 MLT 0.9569
27 AKG 0.9560
28 NYL 0.9560
29 DE5 0.9554
30 LT1 0.9532
31 GJZ 0.9525
32 I1E 0.9518
33 264 0.9516
34 54D 0.9512
35 CXF 0.9511
36 FBJ 0.9510
37 258 0.9509
38 MAE 0.9499
39 PHU 0.9492
40 HBA 0.9489
41 TCA 0.9484
42 1DU 0.9484
43 MXN 0.9477
44 XIZ 0.9474
45 URO 0.9472
46 VKC 0.9472
47 ORN 0.9464
48 F9P 0.9454
49 SSB 0.9441
50 BZ3 0.9439
51 GLY GLY 0.9431
52 ABN 0.9428
53 MUC 0.9426
54 RBJ 0.9426
55 PAC 0.9424
56 ZBT 0.9417
57 QSC 0.9414
58 6NA 0.9412
59 AG2 0.9406
60 I4B 0.9405
61 FEH 0.9402
62 FQI 0.9394
63 SIN 0.9389
64 5XC 0.9389
65 NPO 0.9386
66 PG0 0.9385
67 GOJ 0.9383
68 GLU 0.9383
69 LMR 0.9382
70 98J 0.9380
71 DAV 0.9380
72 OEG 0.9377
73 NLE 0.9374
74 PO6 0.9369
75 PHB 0.9364
76 271 0.9362
77 GUA 0.9361
78 URS 0.9360
79 FBM 0.9359
80 OK7 0.9355
81 QY9 0.9354
82 HIS 0.9353
83 4WL 0.9349
84 LYS 0.9347
85 KMT 0.9347
86 PAB 0.9346
87 SYN 0.9342
88 HHI 0.9336
89 FUM 0.9336
90 AC6 0.9335
91 ABU 0.9335
92 TYL 0.9333
93 R9M 0.9330
94 SHO 0.9324
95 RSO 0.9322
96 TPA 0.9320
97 MET 0.9320
98 BHH 0.9319
99 SRT 0.9317
100 DGN 0.9315
101 SSN 0.9314
102 4VP 0.9313
103 2HG 0.9309
104 M6W 0.9308
105 K7M 0.9304
106 ONL 0.9302
107 717 0.9300
108 YRL 0.9298
109 8OZ 0.9297
110 URQ 0.9296
111 HCI 0.9294
112 7WG 0.9293
113 JZ7 0.9292
114 AEF 0.9291
115 XIY 0.9291
116 MR1 0.9289
117 MED 0.9286
118 B40 0.9285
119 PHE 0.9281
120 3YP 0.9275
121 1M2 0.9275
122 XRG 0.9271
123 OKG 0.9271
124 IXW 0.9271
125 GLN 0.9269
126 SHV 0.9269
127 N6C 0.9268
128 LEA 0.9264
129 DGL 0.9262
130 4P5 0.9262
131 JFJ 0.9260
132 MZW 0.9255
133 SPA 0.9253
134 DTL 0.9251
135 PG3 0.9250
136 173 0.9250
137 3SL 0.9249
138 ASP 0.9248
139 TIH 0.9247
140 DHI 0.9246
141 BNS 0.9245
142 PMF 0.9244
143 4FA 0.9241
144 HDA 0.9240
145 GRO 0.9240
146 RMN 0.9231
147 SMN 0.9228
148 FK8 0.9226
149 HCS 0.9225
150 HSE 0.9225
151 LDP 0.9225
152 16D 0.9225
153 9J3 0.9224
154 M4T 0.9224
155 ASN 0.9223
156 1SA 0.9221
157 9RW 0.9218
158 HBD 0.9217
159 URP 0.9215
160 2IT 0.9214
161 TEO 0.9214
162 2BG 0.9214
163 BHL 0.9212
164 S2G 0.9211
165 TZE 0.9211
166 PZI 0.9208
167 HTX 0.9206
168 GGL 0.9206
169 PKU 0.9202
170 PBA 0.9200
171 KQY 0.9199
172 FP1 0.9199
173 5XA 0.9198
174 DYT 0.9198
175 4ZA 0.9196
176 NVA 0.9193
177 Q9Z 0.9189
178 0VT 0.9187
179 7N0 0.9185
180 1Y6 0.9180
181 1MR 0.9179
182 7OD 0.9175
183 PEP 0.9172
184 PYJ 0.9171
185 ACA 0.9170
186 MHN 0.9169
187 9ON 0.9169
188 PIM 0.9169
189 AC0 0.9169
190 B85 0.9168
191 OCT 0.9166
192 LEU 0.9165
193 4HP 0.9164
194 BPW 0.9162
195 3H2 0.9162
196 4SD 0.9158
197 DQY 0.9158
198 3OL 0.9156
199 069 0.9154
200 51F 0.9152
201 BZ2 0.9148
202 COI 0.9145
203 7C3 0.9144
204 7BC 0.9144
205 GLY ALA 0.9143
206 TSU 0.9143
207 PBN 0.9142
208 9CL 0.9141
209 HPN 0.9140
210 KOJ 0.9140
211 HE2 0.9138
212 J0Z 0.9137
213 J9N 0.9134
214 PPY 0.9131
215 SHF 0.9130
216 SHA 0.9123
217 4MV 0.9122
218 HX4 0.9121
219 MPV 0.9120
220 261 0.9117
221 APY 0.9113
222 AEG 0.9112
223 DLY 0.9112
224 6JN 0.9110
225 DHR 0.9110
226 HX2 0.9109
227 K34 0.9108
228 9X7 0.9108
229 69O 0.9105
230 HC4 0.9103
231 UGC 0.9101
232 KMH 0.9100
233 BP9 0.9100
234 HDH 0.9099
235 ONH 0.9098
236 B24 0.9098
237 2LP 0.9097
238 MHO 0.9095
239 RBL 0.9088
240 QMP 0.9085
241 LYN 0.9083
242 152 0.9082
243 9YL 0.9081
244 DZA 0.9079
245 MSE 0.9079
246 OPE 0.9079
247 TIU 0.9077
248 BSX 0.9077
249 SYC 0.9074
250 H95 0.9073
251 FBA 0.9072
252 TLA 0.9071
253 XUL 0.9068
254 AHN 0.9067
255 8EW 0.9065
256 HFA 0.9065
257 IHG 0.9064
258 NBE 0.9064
259 C2B 0.9062
260 SME 0.9060
261 3HG 0.9060
262 HL5 0.9058
263 TAR 0.9057
264 CXP 0.9057
265 MEQ 0.9056
266 MEV 0.9052
267 NF3 0.9051
268 2CO 0.9051
269 1SP 0.9050
270 YPN 0.9047
271 SGL 0.9040
272 NTU 0.9039
273 DAL DAL 0.9037
274 5OB 0.9037
275 40E 0.9036
276 CHH 0.9034
277 JYD 0.9033
278 MSR 0.9033
279 OTR 0.9033
280 IP8 0.9033
281 I38 0.9032
282 AL0 0.9031
283 A8C 0.9031
284 ACH 0.9030
285 4JL 0.9029
286 ILE 0.9025
287 P81 0.9020
288 CRN 0.9020
289 1LN 0.9012
290 M45 0.9010
291 HL4 0.9007
292 GPF 0.9006
293 OHG 0.9006
294 CCU 0.9005
295 DYA 0.9004
296 9X6 0.9001
297 XYL 0.9000
298 RNS 0.8998
299 DIR 0.8996
300 CCE 0.8995
301 RB5 0.8995
302 PGA 0.8994
303 JZ4 0.8993
304 R20 0.8993
305 IOM 0.8991
306 HPS 0.8991
307 3QM 0.8989
308 CMS 0.8989
309 P7Y 0.8987
310 36Y 0.8986
311 4LW 0.8985
312 A5E 0.8984
313 42J 0.8984
314 2RH 0.8983
315 13P 0.8983
316 NFA 0.8981
317 PYF 0.8981
318 L5V 0.8979
319 SHI 0.8977
320 OHP 0.8977
321 ROR 0.8976
322 HYA 0.8976
323 R9S 0.8975
324 3OM 0.8974
325 PIY 0.8974
326 8GL 0.8971
327 XLS 0.8971
328 KTA 0.8970
329 SEP 0.8970
330 PH3 0.8969
331 CPZ 0.8968
332 G3P 0.8968
333 NSD 0.8967
334 1KA 0.8967
335 RUJ 0.8966
336 SD4 0.8965
337 3PG 0.8965
338 6FZ 0.8965
339 VAH 0.8964
340 AT3 0.8963
341 HF2 0.8962
342 R2P 0.8960
343 GPJ 0.8959
344 MRY 0.8955
345 CCD 0.8954
346 CUW 0.8951
347 CSS 0.8950
348 RNT 0.8948
349 F4E 0.8947
350 3LR 0.8944
351 DAS 0.8943
352 6NI 0.8942
353 O8Y 0.8939
354 AOT 0.8936
355 OOG 0.8931
356 HE4 0.8930
357 HG3 0.8929
358 O45 0.8929
359 NMG 0.8928
360 PGH 0.8928
361 2FT 0.8927
362 BUB 0.8926
363 MES 0.8926
364 DHS 0.8923
365 ABV 0.8923
366 MZT 0.8922
367 ICB 0.8922
368 PZM 0.8922
369 5FX 0.8919
370 P80 0.8916
371 1L5 0.8915
372 0L1 0.8914
373 ITN 0.8914
374 HHH 0.8914
375 EOU 0.8907
376 2AL 0.8907
377 X1S 0.8905
378 MD0 0.8905
379 K6V 0.8905
380 B3U 0.8905
381 3S5 0.8904
382 129 0.8904
383 1BN 0.8901
384 LNO 0.8899
385 AMS 0.8896
386 MAH 0.8895
387 HIC 0.8895
388 2BX 0.8894
389 4JM 0.8894
390 R67 0.8892
391 H8N 0.8891
392 4PN 0.8889
393 A3M 0.8889
394 G3H 0.8887
395 PAH 0.8886
396 7VP 0.8886
397 JDN 0.8885
398 BNL 0.8881
399 SPV 0.8881
400 PY7 0.8879
401 LNR 0.8877
402 263 0.8875
403 PRY 0.8874
404 YIV 0.8870
405 4LR 0.8868
406 HPP 0.8868
407 QDK 0.8866
408 DPN 0.8865
409 OHJ 0.8861
410 9GB 0.8860
411 5XB 0.8860
412 S2P 0.8859
413 K6H 0.8858
414 M3H 0.8857
415 3C4 0.8853
416 THE 0.8852
417 NM3 0.8850
418 F9Y 0.8847
419 7MU 0.8847
420 NM2 0.8845
421 GP9 0.8842
422 DHY 0.8842
423 HGA 0.8841
424 AE3 0.8841
425 EHM 0.8839
426 DHM 0.8838
427 SYM 0.8835
428 UN1 0.8835
429 DAB 0.8835
430 3PP 0.8833
431 650 0.8833
432 FBS 0.8831
433 449 0.8829
434 1GP 0.8828
435 NLP 0.8824
436 LTL 0.8821
437 1X4 0.8816
438 NCT 0.8815
439 4LV 0.8810
440 ALA ALA 0.8810
441 Q03 0.8809
442 GWM 0.8805
443 TYE 0.8800
444 RTK 0.8799
445 OSE 0.8798
446 N9J 0.8797
447 GVM 0.8795
448 ZGL 0.8789
449 LUQ 0.8786
450 DEE 0.8783
451 PPR 0.8781
452 A20 0.8779
453 MLZ 0.8778
454 FW5 0.8778
455 PC 0.8770
456 GZ3 0.8769
457 AHB 0.8769
458 LER 0.8769
459 FUD 0.8764
460 2HC 0.8763
461 PPT 0.8762
462 MSL 0.8762
463 4TB 0.8761
464 S0W 0.8758
465 HPV 0.8758
466 TYR 0.8757
467 L99 0.8757
468 NXA 0.8752
469 2EH 0.8751
470 BRH 0.8750
471 CYX 0.8749
472 HP6 0.8742
473 3BU 0.8740
474 7UC 0.8738
475 GLO 0.8737
476 266 0.8732
477 RB0 0.8727
478 LPK 0.8722
479 TZF 0.8721
480 S8V 0.8719
481 FOM 0.8716
482 FOC 0.8714
483 GZL 0.8713
484 3SS 0.8710
485 11C 0.8708
486 LVD 0.8707
487 OCA 0.8701
488 NFM 0.8700
489 1CO 0.8700
490 GLY CYS 0.8694
491 8SZ 0.8694
492 AOS 0.8694
493 AHC 0.8692
494 SOL 0.8690
495 5HY 0.8688
496 SDD 0.8684
497 LFC 0.8683
498 C1M 0.8683
499 5WZ 0.8683
500 HJH 0.8682
501 SLZ 0.8681
502 DI6 0.8681
503 B09 0.8680
504 AMH 0.8671
505 P58 0.8650
506 RAT 0.8649
507 JF6 0.8640
508 HNL 0.8639
509 F06 0.8638
510 M6H 0.8635
511 KP6 0.8635
512 SOR 0.8622
513 GVG 0.8620
514 3AL 0.8620
515 PSJ 0.8618
516 36M 0.8617
517 AMQ 0.8602
518 56D 0.8600
519 DTY 0.8597
520 JB8 0.8595
521 PFF 0.8594
522 4BF 0.8588
523 E4P 0.8587
524 F90 0.8585
525 ENO 0.8565
526 NSB 0.8561
527 2F6 0.8540
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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