Receptor
PDB id Resolution Class Description Source Keywords
5ipa 1.78 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH (E)-3-(FURAN-3-Y( PYRROLIDIN-1-YL)PROP-2-EN-1-ONE AT 1.78A RESOLUTION MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RA) ETHR TRANSCRIPTION REPRESOR BOOSTING EFFECT
Ref.: FRAGMENT-SIZED ETHR INHIBITORS EXHIBIT EXCEPTIONALL ETHIONAMIDE BOOSTING EFFECT IN WHOLE-CELL MYCOBACTE TUBERCULOSIS ASSAYS. ACS CHEM. BIOL. V. 12 1390 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6C8 A:302;
A:303;
A:301;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 20 uM
191.226 C11 H13 N O2 c1coc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M3B 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE RAPID AND EFFICIENT DESIGN OF NEW INHIBITORS OF MYCOBACTERIU TUBERCULOSIS TRANSCRIPTIONAL REPRESSOR ETHR USING FRAGMENT M ERGING AND LINKING APPROACHES MYCOBACTERIUM TUBERCULOSIS HELIX-TURN-HELIX DNA BINDING PROTEIN TETR-FAMILY TRANSCRIPREGULATORY REPRESSOR INHIBITOR TRANSCRIPTION REPRESSOR-INCOMPLEX
Ref.: LIGAND EFFICIENCY DRIVEN DESIGN OF NEW INHIBITORS O MYCOBACTERIUM TUBERCULOSIS TRANSCRIPTIONAL REPRESSO USING FRAGMENT GROWING, MERGING, AND LINKING APPROA J.MED.CHEM. V. 57 4876 2014
Members (66)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5J1U - P93 C10 H14 N2 O2 c1cocc1CNC....
2 5MYT - ZQC C16 H13 N3 O S2 CSc1ccc(cc....
3 3SFI ic50 = 0.4 uM 3SF C15 H17 F3 N4 O2 S c1csc(n1)c....
4 3Q0W - LL5 C16 H22 N4 O2 S CC(C)[C@@H....
5 6HO0 - GFK C19 H19 F3 N4 O3 S COc1ccc2c(....
6 4M3E ic50 = 0.56 uM 2B3 C17 H20 F3 N3 O3 S2 CCCS(=O)(=....
7 1U9N - CNS C24 H48 O2 CCCCCCCCCC....
8 5MYS ic50 = 50 uM YP6 C16 H12 F N3 O2 S c1ccnc(c1)....
9 6HOF - GJ8 C20 H18 F3 N3 O3 S2 c1ccc(cc1)....
10 5F08 Kd = 3 uM 5TG C25 H39 N3 O3 CC(C)(C)OC....
11 5MYL ic50 = 9.9 uM Q2N C16 H12 F N3 O S c1ccnc(c1)....
12 6HOA - GGN C21 H20 F3 N3 O S CCCc1cc(cc....
13 3O8G ic50 = 7.4 uM O8G C13 H14 N6 O2 S c1cc(sc1)c....
14 5F0C - 5TE C19 H28 N2 O c1cc(cc(c1....
15 6HO8 - GG8 C9 H10 F3 N O2 S c1ccc(cc1)....
16 5IOY Kd = 6 uM 6C5 C11 H20 N2 O C1CCC(C1)C....
17 5F1J Kd = 12 uM 5TO C12 H21 N O C1CCC(C1)C....
18 5F27 - 5TT C13 H20 N2 CNCc1ccc(c....
19 5MYR ic50 = 22 uM UDY C15 H9 F N4 S2 c1ccnc(c1)....
20 6HO5 - GH8 C30 H32 N2 O3 CC(C)N1CCC....
21 5MYM ic50 = 3.9 uM HYV C24 H29 N5 O S c1ccc(cc1)....
22 5NJ0 - 8YW C16 H14 N2 O6 c1cc(ccc1[....
23 5NIZ - 8YT C17 H24 N2 O3 C[C@@H]1C[....
24 5J3L Kd = 16 uM 6FR C11 H21 N O2 S C1CCC(C1)C....
25 6HO2 - GHN C16 H17 F3 N2 O4 S2 CCOC(=O)Cc....
26 4M3G ic50 = 0.55 uM 2G1 C13 H13 F3 N2 O2 S2 Cc1nc(cs1)....
27 6R1P - JPH C17 H17 N5 O3 CC1=CC(=O)....
28 6HOC - GJE C10 H9 F3 N4 O c1cc(ccc1C....
29 3O8H ic50 = 580 nM O8H C22 H22 I N7 O4 S2 c1cc(sc1)c....
30 5MXK ic50 = 150 uM ZHA C12 H13 N O2 CC(=O)Nc1c....
31 5IOZ Kd = 11 uM 6C4 C12 H21 N O C1CCC(C1)C....
32 6HOB - GJ5 C17 H19 F3 N2 O S CC(C)Cc1nc....
33 6HNX - GFZ C29 H30 N2 O3 CC(C)N1CCC....
34 6HO7 - GHQ C10 H10 F3 N O c1ccc(cc1)....
35 5EZH Kd = 24 uM 841 C16 H24 N4 O c1ccnc(c1)....
36 5MWO ic50 = 0.19 mM J6W C10 H10 O S Cc1ccc2c(c....
37 5EYR Kd = 5 uM 5T0 C20 H31 N3 O CNCc1ccc(c....
38 6HO4 - GFQ C19 H23 F3 N2 O S CC(C)CCCc1....
39 3G1O ic50 = 38 uM RF1 C16 H21 N3 O3 S CC(C)(C)OC....
40 5NIO - 8YH C11 H22 N2 O CCCCNC(=O)....
41 6HO1 - GFW C18 H24 N2 O4 S2 CCOC(=O)Cc....
42 5F0H ic50 = 33 uM 5TC C27 H34 N4 O c1cc(ccc1C....
43 4M3D ic50 = 3.9 uM 2H2 C19 H17 F3 N2 O3 S c1ccc(cc1)....
44 5J1R Kd = 22 uM 6FG C11 H15 N O2 c1cocc1CCC....
45 6HOE - GH2 C17 H17 F3 N2 O3 S CCOC(=O)Cc....
46 3SDG ic50 = 2.8 uM 3SE C14 H15 F3 N4 O2 S c1csc(n1)c....
47 6HOD - GHK C15 H14 N2 O4 S2 c1ccc(cc1)....
48 6HNZ - GH5 C17 H18 F3 N3 O2 c1ccc(cc1)....
49 6HO9 - GHB C16 H19 F3 N4 O CC(C)Cc1cn....
50 4DW6 - 0MN C22 H18 N2 O3 S COc1cccc(c....
51 3G1L - RF2 C14 H10 F N3 c1ccc(cc1)....
52 5IP6 - 6C9 C10 H18 N2 O2 C1CCN(C1)C....
53 5MXV ic50 = 12 uM K3T C12 H8 Cl F N2 O S2 c1cc2c(cc1....
54 5IPA Kd = 20 uM 6C8 C11 H13 N O2 c1cocc1/C=....
55 5NIM - 8YE C14 H16 N4 O3 CCCc1cc(no....
56 6HO6 - GGK C13 H15 F3 N2 O4 S2 CS(=O)(=O)....
57 5F0F Kd = 1 uM 5TD C19 H25 N3 O c1cc(ccc1C....
58 5MYW - WCU C13 H12 N2 O2 c1ccc(c(c1....
59 5MYN ic50 = 30 uM ZUF C13 H9 Cl N4 S c1ccnc(c1)....
60 6HO3 - GJ2 C18 H17 F3 N2 O4 S2 c1ccc(cc1)....
61 4M3F ic50 = 4.9 uM 2D1 C15 H20 N2 O2 S2 Cc1nc(cs1)....
62 5EZG Kd = 12 uM 5T4 C15 H23 N5 O c1cnc(nc1)....
63 4M3B ic50 = 0.4 uM 2B2 C14 H13 F3 N2 O S Cc1nc(cs1)....
64 3G1M ic50 = 0.522 uM RF3 C17 H17 N3 O2 S2 c1cc(sc1)C....
65 3TP0 - FO5 C14 H14 N4 O2 S c1cc(sc1)c....
66 6R1S - JPK C21 H24 N4 O3 Cc1cccc(c1....
70% Homology Family (66)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5J1U - P93 C10 H14 N2 O2 c1cocc1CNC....
2 5MYT - ZQC C16 H13 N3 O S2 CSc1ccc(cc....
3 3SFI ic50 = 0.4 uM 3SF C15 H17 F3 N4 O2 S c1csc(n1)c....
4 3Q0W - LL5 C16 H22 N4 O2 S CC(C)[C@@H....
5 6HO0 - GFK C19 H19 F3 N4 O3 S COc1ccc2c(....
6 4M3E ic50 = 0.56 uM 2B3 C17 H20 F3 N3 O3 S2 CCCS(=O)(=....
7 1U9N - CNS C24 H48 O2 CCCCCCCCCC....
8 5MYS ic50 = 50 uM YP6 C16 H12 F N3 O2 S c1ccnc(c1)....
9 6HOF - GJ8 C20 H18 F3 N3 O3 S2 c1ccc(cc1)....
10 5F08 Kd = 3 uM 5TG C25 H39 N3 O3 CC(C)(C)OC....
11 5MYL ic50 = 9.9 uM Q2N C16 H12 F N3 O S c1ccnc(c1)....
12 6HOA - GGN C21 H20 F3 N3 O S CCCc1cc(cc....
13 3O8G ic50 = 7.4 uM O8G C13 H14 N6 O2 S c1cc(sc1)c....
14 5F0C - 5TE C19 H28 N2 O c1cc(cc(c1....
15 6HO8 - GG8 C9 H10 F3 N O2 S c1ccc(cc1)....
16 5IOY Kd = 6 uM 6C5 C11 H20 N2 O C1CCC(C1)C....
17 5F1J Kd = 12 uM 5TO C12 H21 N O C1CCC(C1)C....
18 5F27 - 5TT C13 H20 N2 CNCc1ccc(c....
19 5MYR ic50 = 22 uM UDY C15 H9 F N4 S2 c1ccnc(c1)....
20 6HO5 - GH8 C30 H32 N2 O3 CC(C)N1CCC....
21 5MYM ic50 = 3.9 uM HYV C24 H29 N5 O S c1ccc(cc1)....
22 5NJ0 - 8YW C16 H14 N2 O6 c1cc(ccc1[....
23 5NIZ - 8YT C17 H24 N2 O3 C[C@@H]1C[....
24 5J3L Kd = 16 uM 6FR C11 H21 N O2 S C1CCC(C1)C....
25 6HO2 - GHN C16 H17 F3 N2 O4 S2 CCOC(=O)Cc....
26 4M3G ic50 = 0.55 uM 2G1 C13 H13 F3 N2 O2 S2 Cc1nc(cs1)....
27 6R1P - JPH C17 H17 N5 O3 CC1=CC(=O)....
28 6HOC - GJE C10 H9 F3 N4 O c1cc(ccc1C....
29 3O8H ic50 = 580 nM O8H C22 H22 I N7 O4 S2 c1cc(sc1)c....
30 5MXK ic50 = 150 uM ZHA C12 H13 N O2 CC(=O)Nc1c....
31 5IOZ Kd = 11 uM 6C4 C12 H21 N O C1CCC(C1)C....
32 6HOB - GJ5 C17 H19 F3 N2 O S CC(C)Cc1nc....
33 6HNX - GFZ C29 H30 N2 O3 CC(C)N1CCC....
34 6HO7 - GHQ C10 H10 F3 N O c1ccc(cc1)....
35 5EZH Kd = 24 uM 841 C16 H24 N4 O c1ccnc(c1)....
36 5MWO ic50 = 0.19 mM J6W C10 H10 O S Cc1ccc2c(c....
37 5EYR Kd = 5 uM 5T0 C20 H31 N3 O CNCc1ccc(c....
38 6HO4 - GFQ C19 H23 F3 N2 O S CC(C)CCCc1....
39 3G1O ic50 = 38 uM RF1 C16 H21 N3 O3 S CC(C)(C)OC....
40 5NIO - 8YH C11 H22 N2 O CCCCNC(=O)....
41 6HO1 - GFW C18 H24 N2 O4 S2 CCOC(=O)Cc....
42 5F0H ic50 = 33 uM 5TC C27 H34 N4 O c1cc(ccc1C....
43 4M3D ic50 = 3.9 uM 2H2 C19 H17 F3 N2 O3 S c1ccc(cc1)....
44 5J1R Kd = 22 uM 6FG C11 H15 N O2 c1cocc1CCC....
45 6HOE - GH2 C17 H17 F3 N2 O3 S CCOC(=O)Cc....
46 3SDG ic50 = 2.8 uM 3SE C14 H15 F3 N4 O2 S c1csc(n1)c....
47 6HOD - GHK C15 H14 N2 O4 S2 c1ccc(cc1)....
48 6HNZ - GH5 C17 H18 F3 N3 O2 c1ccc(cc1)....
49 6HO9 - GHB C16 H19 F3 N4 O CC(C)Cc1cn....
50 4DW6 - 0MN C22 H18 N2 O3 S COc1cccc(c....
51 3G1L - RF2 C14 H10 F N3 c1ccc(cc1)....
52 5IP6 - 6C9 C10 H18 N2 O2 C1CCN(C1)C....
53 5MXV ic50 = 12 uM K3T C12 H8 Cl F N2 O S2 c1cc2c(cc1....
54 5IPA Kd = 20 uM 6C8 C11 H13 N O2 c1cocc1/C=....
55 5NIM - 8YE C14 H16 N4 O3 CCCc1cc(no....
56 6HO6 - GGK C13 H15 F3 N2 O4 S2 CS(=O)(=O)....
57 5F0F Kd = 1 uM 5TD C19 H25 N3 O c1cc(ccc1C....
58 5MYW - WCU C13 H12 N2 O2 c1ccc(c(c1....
59 5MYN ic50 = 30 uM ZUF C13 H9 Cl N4 S c1ccnc(c1)....
60 6HO3 - GJ2 C18 H17 F3 N2 O4 S2 c1ccc(cc1)....
61 4M3F ic50 = 4.9 uM 2D1 C15 H20 N2 O2 S2 Cc1nc(cs1)....
62 5EZG Kd = 12 uM 5T4 C15 H23 N5 O c1cnc(nc1)....
63 4M3B ic50 = 0.4 uM 2B2 C14 H13 F3 N2 O S Cc1nc(cs1)....
64 3G1M ic50 = 0.522 uM RF3 C17 H17 N3 O2 S2 c1cc(sc1)C....
65 3TP0 - FO5 C14 H14 N4 O2 S c1cc(sc1)c....
66 6R1S - JPK C21 H24 N4 O3 Cc1cccc(c1....
50% Homology Family (66)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5J1U - P93 C10 H14 N2 O2 c1cocc1CNC....
2 5MYT - ZQC C16 H13 N3 O S2 CSc1ccc(cc....
3 3SFI ic50 = 0.4 uM 3SF C15 H17 F3 N4 O2 S c1csc(n1)c....
4 3Q0W - LL5 C16 H22 N4 O2 S CC(C)[C@@H....
5 6HO0 - GFK C19 H19 F3 N4 O3 S COc1ccc2c(....
6 4M3E ic50 = 0.56 uM 2B3 C17 H20 F3 N3 O3 S2 CCCS(=O)(=....
7 1U9N - CNS C24 H48 O2 CCCCCCCCCC....
8 5MYS ic50 = 50 uM YP6 C16 H12 F N3 O2 S c1ccnc(c1)....
9 6HOF - GJ8 C20 H18 F3 N3 O3 S2 c1ccc(cc1)....
10 5F08 Kd = 3 uM 5TG C25 H39 N3 O3 CC(C)(C)OC....
11 5MYL ic50 = 9.9 uM Q2N C16 H12 F N3 O S c1ccnc(c1)....
12 6HOA - GGN C21 H20 F3 N3 O S CCCc1cc(cc....
13 3O8G ic50 = 7.4 uM O8G C13 H14 N6 O2 S c1cc(sc1)c....
14 5F0C - 5TE C19 H28 N2 O c1cc(cc(c1....
15 6HO8 - GG8 C9 H10 F3 N O2 S c1ccc(cc1)....
16 5IOY Kd = 6 uM 6C5 C11 H20 N2 O C1CCC(C1)C....
17 5F1J Kd = 12 uM 5TO C12 H21 N O C1CCC(C1)C....
18 5F27 - 5TT C13 H20 N2 CNCc1ccc(c....
19 5MYR ic50 = 22 uM UDY C15 H9 F N4 S2 c1ccnc(c1)....
20 6HO5 - GH8 C30 H32 N2 O3 CC(C)N1CCC....
21 5MYM ic50 = 3.9 uM HYV C24 H29 N5 O S c1ccc(cc1)....
22 5NJ0 - 8YW C16 H14 N2 O6 c1cc(ccc1[....
23 5NIZ - 8YT C17 H24 N2 O3 C[C@@H]1C[....
24 5J3L Kd = 16 uM 6FR C11 H21 N O2 S C1CCC(C1)C....
25 6HO2 - GHN C16 H17 F3 N2 O4 S2 CCOC(=O)Cc....
26 4M3G ic50 = 0.55 uM 2G1 C13 H13 F3 N2 O2 S2 Cc1nc(cs1)....
27 6R1P - JPH C17 H17 N5 O3 CC1=CC(=O)....
28 6HOC - GJE C10 H9 F3 N4 O c1cc(ccc1C....
29 3O8H ic50 = 580 nM O8H C22 H22 I N7 O4 S2 c1cc(sc1)c....
30 5MXK ic50 = 150 uM ZHA C12 H13 N O2 CC(=O)Nc1c....
31 5IOZ Kd = 11 uM 6C4 C12 H21 N O C1CCC(C1)C....
32 6HOB - GJ5 C17 H19 F3 N2 O S CC(C)Cc1nc....
33 6HNX - GFZ C29 H30 N2 O3 CC(C)N1CCC....
34 6HO7 - GHQ C10 H10 F3 N O c1ccc(cc1)....
35 5EZH Kd = 24 uM 841 C16 H24 N4 O c1ccnc(c1)....
36 5MWO ic50 = 0.19 mM J6W C10 H10 O S Cc1ccc2c(c....
37 5EYR Kd = 5 uM 5T0 C20 H31 N3 O CNCc1ccc(c....
38 6HO4 - GFQ C19 H23 F3 N2 O S CC(C)CCCc1....
39 3G1O ic50 = 38 uM RF1 C16 H21 N3 O3 S CC(C)(C)OC....
40 5NIO - 8YH C11 H22 N2 O CCCCNC(=O)....
41 6HO1 - GFW C18 H24 N2 O4 S2 CCOC(=O)Cc....
42 5F0H ic50 = 33 uM 5TC C27 H34 N4 O c1cc(ccc1C....
43 4M3D ic50 = 3.9 uM 2H2 C19 H17 F3 N2 O3 S c1ccc(cc1)....
44 5J1R Kd = 22 uM 6FG C11 H15 N O2 c1cocc1CCC....
45 6HOE - GH2 C17 H17 F3 N2 O3 S CCOC(=O)Cc....
46 3SDG ic50 = 2.8 uM 3SE C14 H15 F3 N4 O2 S c1csc(n1)c....
47 6HOD - GHK C15 H14 N2 O4 S2 c1ccc(cc1)....
48 6HNZ - GH5 C17 H18 F3 N3 O2 c1ccc(cc1)....
49 6HO9 - GHB C16 H19 F3 N4 O CC(C)Cc1cn....
50 4DW6 - 0MN C22 H18 N2 O3 S COc1cccc(c....
51 3G1L - RF2 C14 H10 F N3 c1ccc(cc1)....
52 5IP6 - 6C9 C10 H18 N2 O2 C1CCN(C1)C....
53 5MXV ic50 = 12 uM K3T C12 H8 Cl F N2 O S2 c1cc2c(cc1....
54 5IPA Kd = 20 uM 6C8 C11 H13 N O2 c1cocc1/C=....
55 5NIM - 8YE C14 H16 N4 O3 CCCc1cc(no....
56 6HO6 - GGK C13 H15 F3 N2 O4 S2 CS(=O)(=O)....
57 5F0F Kd = 1 uM 5TD C19 H25 N3 O c1cc(ccc1C....
58 5MYW - WCU C13 H12 N2 O2 c1ccc(c(c1....
59 5MYN ic50 = 30 uM ZUF C13 H9 Cl N4 S c1ccnc(c1)....
60 6HO3 - GJ2 C18 H17 F3 N2 O4 S2 c1ccc(cc1)....
61 4M3F ic50 = 4.9 uM 2D1 C15 H20 N2 O2 S2 Cc1nc(cs1)....
62 5EZG Kd = 12 uM 5T4 C15 H23 N5 O c1cnc(nc1)....
63 4M3B ic50 = 0.4 uM 2B2 C14 H13 F3 N2 O S Cc1nc(cs1)....
64 3G1M ic50 = 0.522 uM RF3 C17 H17 N3 O2 S2 c1cc(sc1)C....
65 3TP0 - FO5 C14 H14 N4 O2 S c1cc(sc1)c....
66 6R1S - JPK C21 H24 N4 O3 Cc1cccc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6C8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6C8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6C8; Similar ligands found: 574
No: Ligand Similarity coefficient
1 5TO 0.9973
2 6FG 0.9919
3 6C5 0.9863
4 6C4 0.9800
5 6C9 0.9740
6 P93 0.9677
7 JF5 0.9619
8 LZ5 0.9514
9 RDV 0.9507
10 NK5 0.9483
11 MKN 0.9467
12 S8P 0.9464
13 KLE 0.9458
14 3VQ 0.9457
15 JGY 0.9446
16 LVP 0.9443
17 4AU 0.9431
18 0UL 0.9426
19 68B 0.9412
20 0OM 0.9404
21 0ON 0.9400
22 6FR 0.9398
23 M4N 0.9390
24 BZM 0.9389
25 4Z0 0.9388
26 8CC 0.9383
27 A6W 0.9378
28 C4E 0.9369
29 ODK 0.9368
30 GHQ 0.9363
31 JCZ 0.9356
32 9JT 0.9350
33 AVA 0.9343
34 NFZ 0.9339
35 FHV 0.9335
36 KPV 0.9334
37 IOP 0.9331
38 N9M 0.9329
39 5H6 0.9329
40 EYJ 0.9317
41 LR2 0.9317
42 D25 0.9314
43 TRP 0.9314
44 6MW 0.9312
45 5B2 0.9311
46 BVS 0.9308
47 ZZA 0.9307
48 6DQ 0.9301
49 5E5 0.9295
50 XI7 0.9281
51 MJW 0.9280
52 5FL 0.9274
53 A9B 0.9273
54 7O4 0.9271
55 PIQ 0.9262
56 47V 0.9262
57 L2K 0.9262
58 I2E 0.9261
59 3IP 0.9261
60 363 0.9259
61 4Z1 0.9257
62 5F8 0.9255
63 4Z9 0.9253
64 Q4G 0.9250
65 2D2 0.9242
66 0K7 0.9233
67 IQQ 0.9223
68 11X 0.9222
69 IDZ 0.9220
70 PZX 0.9219
71 2JX 0.9216
72 D26 0.9213
73 C82 0.9211
74 G14 0.9208
75 A51 0.9195
76 7L4 0.9188
77 1FE 0.9185
78 JSX 0.9183
79 5F5 0.9181
80 H35 0.9179
81 3IL 0.9178
82 245 0.9177
83 9BF 0.9176
84 VM1 0.9173
85 4BX 0.9170
86 P4L 0.9168
87 TPM 0.9162
88 YIP 0.9157
89 BSU 0.9157
90 EWG 0.9152
91 S0D 0.9150
92 HH6 0.9149
93 833 0.9145
94 0LO 0.9144
95 OLU 0.9144
96 S1D 0.9144
97 JMG 0.9140
98 FCW 0.9137
99 0DF 0.9135
100 MGB 0.9135
101 S0B 0.9132
102 RKV 0.9130
103 LPA 0.9129
104 OJD 0.9125
105 C0W 0.9125
106 VBC 0.9122
107 GJG 0.9117
108 2GQ 0.9113
109 1XS 0.9112
110 D1G 0.9112
111 SB7 0.9111
112 Z70 0.9106
113 AUV 0.9106
114 5VU 0.9102
115 LEL 0.9101
116 TOH 0.9100
117 4FF 0.9100
118 5C1 0.9098
119 TBJ 0.9097
120 S0A 0.9097
121 F40 0.9092
122 L1T 0.9092
123 DHC 0.9091
124 3CX 0.9089
125 5TZ 0.9088
126 IPJ 0.9087
127 3D8 0.9085
128 WA1 0.9080
129 PML 0.9078
130 Y3L 0.9077
131 D2G 0.9076
132 848 0.9074
133 96Z 0.9074
134 GVA 0.9073
135 QIV 0.9071
136 BSA 0.9071
137 HPX 0.9070
138 GB5 0.9070
139 QME 0.9069
140 FCD 0.9069
141 9NB 0.9068
142 2FX 0.9068
143 L5D 0.9067
144 RGK 0.9066
145 2P3 0.9058
146 2QU 0.9056
147 NAL 0.9055
148 NKI 0.9054
149 CT0 0.9053
150 SOJ 0.9053
151 XCG 0.9050
152 78Y 0.9048
153 FT6 0.9048
154 KLS 0.9048
155 JBZ 0.9047
156 DFL 0.9045
157 49P 0.9039
158 CUQ 0.9039
159 LIG 0.9036
160 AOY 0.9033
161 4FE 0.9033
162 GB4 0.9032
163 TMG 0.9032
164 4YZ 0.9032
165 G2V 0.9030
166 GGB 0.9030
167 HRG 0.9026
168 3VS 0.9026
169 SVG 0.9026
170 20D 0.9025
171 37E 0.9025
172 VFM 0.9024
173 YE6 0.9023
174 ERZ 0.9022
175 7EH 0.9020
176 F18 0.9020
177 U7E 0.9019
178 U13 0.9017
179 1AJ 0.9017
180 39R 0.9016
181 LL1 0.9015
182 4CN 0.9014
183 RF2 0.9014
184 D3G 0.9012
185 8D6 0.9011
186 PUE 0.9011
187 K0G 0.9009
188 ZRK 0.9009
189 0MB 0.9007
190 EMU 0.9006
191 60L 0.9002
192 3SU 0.9001
193 GGG 0.8999
194 28A 0.8997
195 II4 0.8997
196 DTR 0.8995
197 HC4 0.8994
198 4MP 0.8994
199 WLH 0.8993
200 1V4 0.8992
201 HSA 0.8991
202 DAH 0.8990
203 58X 0.8989
204 EV2 0.8988
205 LTN 0.8987
206 0QA 0.8986
207 BZQ 0.8985
208 HWH 0.8983
209 1V1 0.8977
210 FER 0.8976
211 AJG 0.8976
212 5WN 0.8975
213 VGS 0.8975
214 MD6 0.8972
215 CBE 0.8972
216 SNJ 0.8971
217 1HP 0.8971
218 EQW 0.8969
219 0NX 0.8968
220 2UD 0.8964
221 7KE 0.8961
222 RE4 0.8961
223 X48 0.8961
224 0OY 0.8961
225 DXK 0.8960
226 GO2 0.8960
227 RCV 0.8960
228 0XR 0.8958
229 RSV 0.8958
230 5ER 0.8958
231 KWB 0.8958
232 NOT 0.8955
233 DBE 0.8952
234 1PS 0.8952
235 A73 0.8952
236 GJK 0.8951
237 ZIP 0.8949
238 AVX 0.8949
239 SX2 0.8948
240 TID 0.8948
241 IJ6 0.8947
242 U14 0.8945
243 YE7 0.8943
244 V2Z 0.8941
245 HXY 0.8939
246 P7V 0.8937
247 795 0.8937
248 EQA 0.8934
249 JCQ 0.8932
250 J1K 0.8932
251 3D3 0.8931
252 1V3 0.8929
253 NPI 0.8928
254 LVD 0.8928
255 0SY 0.8927
256 25F 0.8927
257 VFG 0.8926
258 5S9 0.8925
259 492 0.8925
260 LRW 0.8923
261 TCR 0.8921
262 RA7 0.8919
263 WDW 0.8918
264 VC3 0.8916
265 6N4 0.8914
266 7MW 0.8914
267 9CE 0.8913
268 KYN 0.8912
269 CIR 0.8907
270 L03 0.8907
271 3F4 0.8906
272 3GX 0.8906
273 P80 0.8906
274 ZE7 0.8904
275 AJ1 0.8904
276 7G2 0.8903
277 4RG 0.8903
278 4G2 0.8903
279 6J5 0.8903
280 7ZL 0.8899
281 5NN 0.8898
282 P81 0.8896
283 D9Z 0.8895
284 S8G 0.8894
285 LFQ 0.8894
286 X2M 0.8894
287 SZ5 0.8893
288 397 0.8892
289 HPP 0.8890
290 5P3 0.8888
291 4ZF 0.8886
292 0OK 0.8886
293 6H2 0.8884
294 FZM 0.8883
295 6P3 0.8882
296 ALY 0.8880
297 AZY 0.8879
298 272 0.8877
299 C9M 0.8876
300 5WK 0.8875
301 MMS 0.8875
302 HPZ 0.8874
303 PMV 0.8874
304 GZ2 0.8874
305 REG 0.8873
306 MMJ 0.8872
307 6CL 0.8872
308 API 0.8872
309 1EB 0.8870
310 3VW 0.8870
311 1SF 0.8869
312 AZM 0.8868
313 52F 0.8867
314 JX7 0.8866
315 SZ7 0.8865
316 4GU 0.8863
317 S45 0.8860
318 DKA 0.8860
319 KNA 0.8860
320 A5H 0.8860
321 5O6 0.8859
322 AHN 0.8858
323 LR8 0.8858
324 BP7 0.8858
325 QR2 0.8858
326 U4J 0.8857
327 A7Q 0.8856
328 S0W 0.8854
329 SSY 0.8854
330 ZEA 0.8853
331 JFS 0.8852
332 P4T 0.8852
333 JAH 0.8850
334 VFJ 0.8850
335 ARG 0.8849
336 X6W 0.8849
337 AP6 0.8847
338 HPK 0.8846
339 22F 0.8846
340 TB8 0.8843
341 4FP 0.8843
342 B5A 0.8843
343 XRS 0.8842
344 1YO 0.8841
345 N4E 0.8841
346 JVB 0.8839
347 8YH 0.8839
348 ENW 0.8839
349 SWX 0.8838
350 657 0.8838
351 UN3 0.8838
352 A98 0.8837
353 N9J 0.8837
354 7FU 0.8837
355 DAR 0.8837
356 P1J 0.8834
357 B41 0.8834
358 90G 0.8834
359 JVD 0.8832
360 KF5 0.8831
361 NIY 0.8830
362 2QV 0.8829
363 5NR 0.8828
364 6SD 0.8827
365 5RP 0.8826
366 OGY 0.8823
367 P2L 0.8821
368 AMR 0.8820
369 5SP 0.8820
370 DDC 0.8820
371 ZZU 0.8819
372 9FH 0.8819
373 DMA 0.8817
374 A5Q 0.8816
375 B1J 0.8814
376 PRO GLY 0.8813
377 LI7 0.8811
378 2PV 0.8810
379 M3L 0.8809
380 D1Y 0.8809
381 U12 0.8805
382 9UL 0.8805
383 14W 0.8803
384 ASE 0.8802
385 QBP 0.8801
386 4HB 0.8801
387 8V8 0.8796
388 ZRL 0.8796
389 ZEZ 0.8795
390 A9E 0.8795
391 GRQ 0.8794
392 MR4 0.8793
393 26P 0.8791
394 2PK 0.8785
395 JPQ 0.8784
396 XDK 0.8782
397 MR5 0.8781
398 3NM 0.8777
399 PRL 0.8777
400 TU0 0.8777
401 TYR 0.8774
402 3C5 0.8773
403 AD6 0.8773
404 M28 0.8771
405 HL6 0.8770
406 E9L 0.8770
407 GO8 0.8770
408 4NP 0.8770
409 CHQ 0.8766
410 E3X 0.8766
411 DX5 0.8765
412 G8V 0.8764
413 0FR 0.8763
414 FC2 0.8762
415 W8L 0.8759
416 PLP 0.8757
417 ZTW 0.8757
418 FZ0 0.8756
419 22L 0.8756
420 27K 0.8754
421 28B 0.8754
422 CDJ 0.8753
423 5OO 0.8752
424 C0H 0.8752
425 1Q4 0.8750
426 H2W 0.8750
427 S7S 0.8748
428 1ER 0.8748
429 K48 0.8746
430 92G 0.8746
431 20N 0.8745
432 2UZ 0.8744
433 78U 0.8742
434 GVY 0.8741
435 4XF 0.8741
436 HA6 0.8741
437 BL0 0.8740
438 OA1 0.8740
439 M5H 0.8739
440 A8K 0.8739
441 CIY 0.8738
442 LSQ 0.8738
443 PNP 0.8734
444 RPN 0.8732
445 NIF 0.8731
446 36M 0.8730
447 4K2 0.8730
448 WT2 0.8729
449 2QC 0.8725
450 M3W 0.8721
451 9F8 0.8721
452 2M7 0.8720
453 ENO 0.8719
454 39Z 0.8716
455 M78 0.8716
456 WCU 0.8716
457 LJ5 0.8714
458 S46 0.8713
459 MR6 0.8713
460 C53 0.8713
461 4DI 0.8710
462 L02 0.8707
463 SSC 0.8706
464 TZP 0.8705
465 4MB 0.8705
466 6FB 0.8704
467 NQ7 0.8703
468 1OT 0.8702
469 4CF 0.8701
470 2HC 0.8701
471 9J6 0.8698
472 SU9 0.8698
473 N8C 0.8698
474 38E 0.8697
475 Z3R 0.8696
476 KWV 0.8695
477 LJ3 0.8694
478 DTB 0.8692
479 BBY 0.8692
480 4UM 0.8692
481 RQD 0.8687
482 MZM 0.8681
483 0QV 0.8676
484 S62 0.8676
485 IYR 0.8675
486 A63 0.8671
487 G6P 0.8670
488 6KT 0.8669
489 GK8 0.8669
490 801 0.8668
491 WA2 0.8668
492 6L6 0.8668
493 IPE 0.8668
494 TCA 0.8667
495 JF8 0.8666
496 EAT 0.8666
497 HNT 0.8665
498 5LD 0.8662
499 27F 0.8661
500 GNR 0.8659
501 4I8 0.8659
502 CX6 0.8658
503 6QT 0.8658
504 R20 0.8654
505 RDM 0.8654
506 K7H 0.8653
507 4BY 0.8652
508 3JC 0.8650
509 LC1 0.8649
510 XYP XYP 0.8646
511 OCA 0.8646
512 PQM 0.8645
513 2MR 0.8644
514 J38 0.8641
515 UAY 0.8639
516 SZA 0.8636
517 6ZX 0.8633
518 6BK 0.8631
519 DUR 0.8630
520 F63 0.8628
521 QKU 0.8624
522 IS2 0.8623
523 VT3 0.8623
524 7G0 0.8619
525 XYP XIF 0.8616
526 XIF XYP 0.8616
527 KDG 0.8615
528 GXD 0.8615
529 8M5 0.8614
530 7FZ 0.8611
531 IBP 0.8606
532 08C 0.8605
533 D64 0.8604
534 5TT 0.8602
535 GG8 0.8602
536 SPD 0.8602
537 PPY 0.8601
538 TCC 0.8601
539 LJ1 0.8600
540 EEY 0.8598
541 9XZ 0.8596
542 LI4 0.8594
543 IOS 0.8593
544 B21 0.8593
545 YZM 0.8591
546 M83 0.8590
547 MBP 0.8589
548 4NS 0.8588
549 DTY 0.8587
550 8NB 0.8587
551 NY4 0.8586
552 L22 0.8584
553 AGI 0.8582
554 CFA 0.8579
555 K80 0.8578
556 LJ2 0.8569
557 1UZ 0.8569
558 PFF 0.8568
559 CMG 0.8563
560 80G 0.8561
561 94X 0.8560
562 GNW 0.8558
563 K4V 0.8556
564 HCC 0.8553
565 THM 0.8552
566 69W 0.8552
567 G6Q 0.8549
568 BBP 0.8548
569 NF3 0.8544
570 ESJ 0.8543
571 DED 0.8540
572 HJ7 0.8536
573 GW9 0.8525
574 FF2 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M3B; Ligand: 2B2; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4m3b.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 5.40541
Pocket No.: 2; Query (leader) PDB : 4M3B; Ligand: 2B2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4m3b.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
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