Receptor
PDB id Resolution Class Description Source Keywords
5j1r 1.92 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 3-(FURAN-3-YL)-1( PYRROLIDIN-1-YL)PROPAN-1-ONE AT 1.92A RESOLUTION MYCOBACTERIUM TUBERCULOSIS 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
6FG A:301;
 Valid;
 none;
 Kd = 22 uM
193.242 C11 H15 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: 6FG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6FG 1 1
2 P93 0.446429 0.755556
Similar Ligands (3D)
Ligand no: 1; Ligand: 6FG; Similar ligands found: 656
No: Ligand Similarity coefficient
1 6C8 0.9919
2 5TO 0.9790
3 6C5 0.9756
4 6C9 0.9730
5 6C4 0.9693
6 LZ5 0.9583
7 68B 0.9544
8 0ON 0.9531
9 3VQ 0.9528
10 KLE 0.9518
11 6MW 0.9511
12 NK5 0.9507
13 XI7 0.9485
14 4AU 0.9479
15 FHV 0.9479
16 0UL 0.9472
17 MKN 0.9465
18 JF5 0.9463
19 ODK 0.9450
20 0QA 0.9438
21 ZZA 0.9433
22 PZX 0.9419
23 D25 0.9418
24 BVS 0.9413
25 G14 0.9390
26 7O4 0.9373
27 0OM 0.9370
28 BZM 0.9361
29 C4E 0.9353
30 5H6 0.9350
31 8CC 0.9349
32 I2E 0.9335
33 KLS 0.9334
34 LVP 0.9330
35 HLP 0.9330
36 KPV 0.9321
37 AVA 0.9319
38 TRP 0.9319
39 MJW 0.9318
40 6FR 0.9318
41 D2G 0.9316
42 JCZ 0.9315
43 M4N 0.9300
44 JMG 0.9293
45 5F8 0.9288
46 11X 0.9280
47 L12 0.9274
48 L2K 0.9274
49 C82 0.9272
50 PIQ 0.9269
51 5FL 0.9263
52 A9B 0.9252
53 363 0.9252
54 1XS 0.9252
55 D26 0.9249
56 5B2 0.9246
57 5E5 0.9242
58 848 0.9241
59 4BX 0.9221
60 RDV 0.9217
61 LR2 0.9213
62 GJG 0.9212
63 IOP 0.9208
64 EYJ 0.9208
65 9VQ 0.9207
66 0K7 0.9204
67 9JT 0.9203
68 47V 0.9202
69 2D2 0.9200
70 OJD 0.9197
71 FCW 0.9196
72 GGG 0.9193
73 9BF 0.9188
74 T03 0.9187
75 6DQ 0.9186
76 5C1 0.9184
77 1AJ 0.9184
78 4Z9 0.9184
79 NFZ 0.9180
80 HAR 0.9174
81 H35 0.9164
82 A51 0.9163
83 D1G 0.9163
84 1FE 0.9162
85 0LO 0.9159
86 C0W 0.9155
87 TPM 0.9148
88 A6W 0.9146
89 FCD 0.9145
90 NMM 0.9145
91 3IL 0.9145
92 LTN 0.9144
93 LPA 0.9143
94 0DF 0.9143
95 VM1 0.9141
96 CBE 0.9140
97 YIP 0.9140
98 IDZ 0.9139
99 S0A 0.9139
100 QIV 0.9137
101 SX2 0.9136
102 VBC 0.9136
103 E8U 0.9135
104 78Y 0.9134
105 S0D 0.9132
106 4TB 0.9131
107 LPB 0.9130
108 N9M 0.9129
109 5F5 0.9126
110 Y3L 0.9122
111 JSX 0.9118
112 4Z0 0.9114
113 PUE 0.9113
114 3VS 0.9113
115 IAR 0.9113
116 DAR 0.9113
117 ARG 0.9113
118 QME 0.9109
119 LIG 0.9108
120 K48 0.9106
121 3CX 0.9106
122 SVG 0.9105
123 GHQ 0.9104
124 GGB 0.9103
125 2P3 0.9101
126 3IP 0.9096
127 7L4 0.9094
128 XCG 0.9088
129 S1D 0.9088
130 MGB 0.9087
131 JGY 0.9087
132 DTR 0.9086
133 2JX 0.9083
134 EYV 0.9081
135 TMG 0.9081
136 S0B 0.9079
137 F40 0.9079
138 PML 0.9078
139 HJD 0.9078
140 4FF 0.9076
141 2FX 0.9076
142 LEL 0.9075
143 EYY 0.9071
144 833 0.9070
145 492 0.9070
146 L1T 0.9068
147 BZQ 0.9068
148 5VU 0.9067
149 EQA 0.9065
150 2O8 0.9058
151 49P 0.9056
152 BSU 0.9056
153 5PV 0.9054
154 Q4G 0.9052
155 PHQ ALA 0.9052
156 245 0.9049
157 LFQ 0.9048
158 P4L 0.9046
159 2QU 0.9044
160 D4G 0.9042
161 DHC 0.9042
162 U7E 0.9041
163 ERZ 0.9040
164 GVA 0.9039
165 G2V 0.9039
166 CIR 0.9034
167 LR8 0.9034
168 ILO 0.9033
169 28A 0.9033
170 4FE 0.9030
171 PPN 0.9030
172 5TZ 0.9030
173 6J5 0.9027
174 TCR 0.9027
175 1PS 0.9027
176 VFG 0.9023
177 3S9 0.9022
178 S8P 0.9022
179 WA1 0.9021
180 0NX 0.9020
181 II4 0.9019
182 JAH 0.9019
183 IPJ 0.9018
184 2GQ 0.9018
185 NPI 0.9017
186 7MW 0.9017
187 AJ1 0.9015
188 7EH 0.9015
189 DFL 0.9014
190 39R 0.9011
191 4NP 0.9011
192 0OY 0.9008
193 LO1 0.9008
194 NAL 0.9007
195 RCV 0.9006
196 3SU 0.9002
197 RSV 0.9002
198 795 0.9002
199 HPX 0.9002
200 5WN 0.9000
201 Z70 0.9000
202 HC4 0.8997
203 S8G 0.8994
204 YE6 0.8993
205 ZRK 0.8992
206 27K 0.8992
207 IQQ 0.8991
208 S46 0.8991
209 3IB 0.8990
210 9NB 0.8990
211 DBE 0.8987
212 F18 0.8985
213 U13 0.8985
214 3KJ 0.8984
215 L5D 0.8982
216 A7Q 0.8979
217 GO2 0.8975
218 3EB 0.8975
219 YTZ 0.8973
220 AJG 0.8966
221 N4E 0.8965
222 1V3 0.8965
223 2J5 0.8964
224 1V4 0.8963
225 1A5 0.8963
226 DA2 0.8963
227 4HB 0.8962
228 AOY 0.8960
229 BQ2 0.8959
230 20D 0.8958
231 3D3 0.8958
232 4YZ 0.8958
233 SNJ 0.8957
234 AHC 0.8957
235 PRO GLY 0.8957
236 GVY 0.8956
237 1V1 0.8955
238 P81 0.8955
239 HPP 0.8954
240 X48 0.8954
241 LVD 0.8954
242 MD6 0.8953
243 RA7 0.8953
244 J4K 0.8951
245 RF2 0.8951
246 OLU 0.8950
247 5WK 0.8949
248 SOJ 0.8949
249 1HP 0.8948
250 P7V 0.8947
251 LL1 0.8946
252 SB7 0.8945
253 657 0.8945
254 272 0.8944
255 HXY 0.8942
256 HS7 0.8942
257 HH6 0.8940
258 5O5 0.8940
259 YIH 0.8940
260 VGS 0.8939
261 0SY 0.8939
262 ZIP 0.8937
263 2MR 0.8936
264 FZM 0.8935
265 SZ7 0.8935
266 AHL 0.8935
267 JVD 0.8934
268 S7D 0.8934
269 3F4 0.8934
270 A98 0.8933
271 EQW 0.8933
272 0MB 0.8932
273 EGV 0.8931
274 37E 0.8929
275 3D8 0.8929
276 BSA 0.8929
277 DA3 0.8928
278 VFM 0.8927
279 REG 0.8927
280 J1K 0.8926
281 JX7 0.8926
282 UN3 0.8926
283 6HN 0.8924
284 DI9 0.8923
285 SAZ 0.8922
286 PRL 0.8922
287 A73 0.8919
288 HSA 0.8918
289 AZM 0.8915
290 6SD 0.8915
291 RES 0.8915
292 PNP 0.8914
293 NKI 0.8912
294 VFJ 0.8909
295 5LD 0.8907
296 AVX 0.8907
297 VC3 0.8907
298 YE7 0.8907
299 BB4 0.8907
300 D9Z 0.8906
301 4ZD 0.8905
302 LRW 0.8902
303 5RP 0.8902
304 KWB 0.8901
305 36M 0.8900
306 A5H 0.8900
307 M3L 0.8899
308 EXY 0.8898
309 TBJ 0.8898
310 RGK 0.8897
311 EV2 0.8897
312 8YH 0.8896
313 4OG 0.8894
314 1OT 0.8892
315 4MB 0.8891
316 QBP 0.8890
317 FT6 0.8889
318 4JK 0.8889
319 WT2 0.8889
320 9VZ 0.8888
321 EMU 0.8886
322 ZZU 0.8884
323 7R4 0.8884
324 4CN 0.8883
325 API 0.8883
326 NIY 0.8883
327 L03 0.8882
328 STV 0.8882
329 N9J 0.8882
330 25F 0.8879
331 ZE7 0.8879
332 0XR 0.8879
333 ENO 0.8878
334 K0G 0.8878
335 VUR 0.8877
336 D1Y 0.8876
337 397 0.8873
338 CLT 0.8872
339 EWG 0.8871
340 2NP 0.8870
341 DTE 0.8869
342 2E5 0.8869
343 90G 0.8867
344 ZEA 0.8867
345 1EB 0.8866
346 7FU 0.8865
347 S0E 0.8863
348 M5B 0.8862
349 SZ5 0.8862
350 E3X 0.8861
351 M78 0.8861
352 SWX 0.8859
353 DDC 0.8856
354 A5Q 0.8854
355 2E6 0.8853
356 DAH 0.8852
357 4GU 0.8852
358 D8Y 0.8851
359 WV7 0.8851
360 4I8 0.8850
361 B5A 0.8849
362 3GZ 0.8848
363 PTB 0.8847
364 FER 0.8844
365 NNH 0.8843
366 AP6 0.8843
367 9F8 0.8842
368 12R 0.8842
369 FZ0 0.8839
370 4FP 0.8837
371 XRX 0.8836
372 DZA 0.8835
373 G8V 0.8835
374 8D6 0.8834
375 HRG 0.8833
376 TOH 0.8833
377 6FB 0.8832
378 6P3 0.8832
379 D3G 0.8832
380 ST3 0.8831
381 SSC 0.8830
382 PQM 0.8829
383 CHQ 0.8829
384 DXK 0.8828
385 2PV 0.8828
386 NOT 0.8828
387 RE4 0.8823
388 5NN 0.8823
389 TID 0.8823
390 4NS 0.8823
391 DMA 0.8822
392 OGY 0.8822
393 9CE 0.8822
394 58X 0.8822
395 2E4 0.8821
396 3VX 0.8819
397 LI7 0.8819
398 6KT 0.8819
399 HNT 0.8819
400 GZ2 0.8818
401 3XH 0.8818
402 V15 0.8817
403 AUV 0.8816
404 B41 0.8816
405 549 0.8815
406 IOS 0.8815
407 4DI 0.8813
408 4G2 0.8810
409 K7H 0.8810
410 X2M 0.8809
411 9XZ 0.8807
412 SJR 0.8807
413 HL6 0.8807
414 96Z 0.8806
415 WA2 0.8805
416 5P3 0.8804
417 4MP 0.8803
418 EAT 0.8800
419 G30 0.8799
420 KYN 0.8799
421 U14 0.8797
422 R5P 0.8797
423 3VW 0.8796
424 22F 0.8795
425 AZY 0.8795
426 WLH 0.8794
427 TYR 0.8794
428 94X 0.8794
429 YZ9 0.8793
430 2L1 0.8791
431 0OP 0.8790
432 WCU 0.8790
433 RGP 0.8789
434 ZRL 0.8789
435 MLY 0.8789
436 1YO 0.8787
437 1Q4 0.8786
438 GB4 0.8786
439 F63 0.8786
440 5O6 0.8784
441 DX5 0.8783
442 YOF 0.8783
443 BP7 0.8782
444 14N 0.8782
445 2QV 0.8780
446 I58 0.8780
447 PMV 0.8779
448 JFM 0.8779
449 SYJ 0.8779
450 QH3 0.8778
451 JCQ 0.8777
452 GB5 0.8776
453 WDW 0.8776
454 7VY 0.8775
455 ZEC 0.8774
456 AMR 0.8773
457 0OK 0.8772
458 IAC 0.8772
459 9JH 0.8772
460 5NR 0.8771
461 GCO 0.8770
462 22T 0.8770
463 20N 0.8770
464 8V8 0.8769
465 7ZL 0.8768
466 A7H 0.8764
467 ASE 0.8764
468 RKV 0.8763
469 5OO 0.8763
470 ITW 0.8759
471 KAP 0.8756
472 3GX 0.8753
473 4ZF 0.8753
474 R52 0.8753
475 6L6 0.8752
476 X6W 0.8752
477 K4V 0.8752
478 EUE 0.8752
479 N8C 0.8752
480 ENV 0.8750
481 78U 0.8750
482 26P 0.8747
483 JF8 0.8747
484 OOG 0.8747
485 EUH 0.8746
486 9FH 0.8745
487 92G 0.8743
488 LSQ 0.8742
489 5DL 0.8741
490 AHN 0.8741
491 HJ7 0.8739
492 JBZ 0.8736
493 Q86 0.8734
494 KNA 0.8733
495 DKA 0.8733
496 RPN 0.8733
497 OCA 0.8732
498 GLR 0.8731
499 PPY 0.8728
500 4KJ 0.8728
501 KWV 0.8728
502 F4K 0.8728
503 5ZM 0.8727
504 U4J 0.8726
505 BGT 0.8725
506 P80 0.8725
507 MP5 0.8724
508 SFY 0.8723
509 BBY 0.8722
510 3VR 0.8722
511 2PK 0.8720
512 SZA 0.8720
513 S62 0.8718
514 A9E 0.8718
515 5TT 0.8716
516 TEG 0.8713
517 L02 0.8713
518 4TP 0.8713
519 6ZX 0.8712
520 6H2 0.8712
521 E9L 0.8712
522 CTE 0.8710
523 TZP 0.8710
524 YF3 0.8708
525 0A1 0.8707
526 T07 0.8707
527 ZYQ 0.8706
528 5SP 0.8705
529 28B 0.8704
530 W8L 0.8703
531 Q8G 0.8702
532 JFS 0.8702
533 F90 0.8701
534 4BY 0.8701
535 3R4 0.8700
536 GRQ 0.8700
537 CDJ 0.8699
538 H2W 0.8698
539 IPE 0.8697
540 5GT 0.8697
541 M28 0.8697
542 LJ5 0.8696
543 2QC 0.8696
544 0A9 0.8695
545 GLY GLY GLY 0.8695
546 D8Q 0.8695
547 60L 0.8693
548 KDG 0.8693
549 52F 0.8691
550 2UD 0.8691
551 RCM 0.8689
552 IPO 0.8689
553 3C5 0.8688
554 7G0 0.8688
555 PA5 0.8688
556 5KJ 0.8687
557 TIA 0.8685
558 2M7 0.8683
559 F52 0.8683
560 GNR 0.8683
561 GJK 0.8682
562 1SF 0.8681
563 LZ4 0.8681
564 AD6 0.8680
565 GNW 0.8679
566 A5P 0.8676
567 TB8 0.8674
568 3ZB 0.8673
569 JOT 0.8672
570 Q0K 0.8668
571 ESJ 0.8667
572 14W 0.8666
573 FMQ 0.8666
574 SYE 0.8663
575 MMJ 0.8663
576 GO8 0.8658
577 FC2 0.8657
578 7N8 0.8654
579 1R5 0.8653
580 0F3 0.8653
581 VT3 0.8652
582 OQC 0.8651
583 G3M 0.8650
584 AX5 0.8650
585 OA1 0.8649
586 7FZ 0.8648
587 3JC 0.8648
588 M3W 0.8648
589 PBN 0.8648
590 08D 0.8646
591 A63 0.8644
592 MVH 0.8643
593 KMY 0.8642
594 B4L 0.8640
595 AGP 0.8640
596 NIF 0.8638
597 9J6 0.8633
598 2OR 0.8633
599 1ER 0.8631
600 C9M 0.8626
601 ZTW 0.8624
602 E9S 0.8623
603 8EU 0.8622
604 7UC 0.8620
605 69W 0.8620
606 39Z 0.8618
607 C0H 0.8614
608 7G2 0.8614
609 9UL 0.8612
610 DXG 0.8610
611 A5E 0.8609
612 ALA GLU 0.8608
613 CX6 0.8608
614 FYR 0.8608
615 EPE 0.8604
616 5V7 0.8602
617 64Z 0.8601
618 M5H 0.8599
619 TX4 0.8599
620 GK8 0.8597
621 5GV 0.8594
622 DTB 0.8593
623 S7G 0.8591
624 DEW 0.8588
625 BGU 0.8588
626 PLP 0.8586
627 HRM 0.8584
628 SB9 0.8583
629 5AD 0.8581
630 HMZ 0.8580
631 PTR 0.8576
632 FF2 0.8573
633 PLR 0.8573
634 108 0.8572
635 CSN 0.8571
636 CFA 0.8569
637 2UB 0.8567
638 DFV 0.8567
639 YZM 0.8567
640 QKU 0.8566
641 38E 0.8561
642 BL0 0.8561
643 TCA 0.8561
644 L22 0.8558
645 IQ5 0.8555
646 27F 0.8554
647 MF3 0.8554
648 MZM 0.8553
649 RYV 0.8551
650 9C2 0.8548
651 HS6 0.8546
652 XYP XYP 0.8541
653 91F 0.8531
654 4CF 0.8518
655 UN1 0.8517
656 RDM 0.8514
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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