Receptor
PDB id Resolution Class Description Source Keywords
3G1L 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUN MYCOBACTERIUM TUBERCULOSIS TETR FAMILY DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGUL
Ref.: SYNTHETIC ETHR INHIBITORS BOOST ANTITUBERCULOUS ACT ETHIONAMIDE. NAT.MED. (N.Y.) V. 15 537 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RF2 A:237;
 Valid;
 none;
 submit data
239.248 C14 H10 F N3 c1ccc...
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: RF2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RF2 1 1
2 39R 0.5 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: RF2; Similar ligands found: 382
No: Ligand Similarity coefficient
1 L02 0.9627
2 D26 0.9622
3 0MB 0.9570
4 MKN 0.9533
5 D25 0.9508
6 7KE 0.9479
7 LIG 0.9439
8 IPJ 0.9438
9 BSU 0.9410
10 4B8 0.9404
11 A9B 0.9404
12 P7V 0.9401
13 SNJ 0.9375
14 NVS 0.9366
15 JVB 0.9348
16 K4T 0.9332
17 HDI 0.9272
18 HPX 0.9265
19 2OX 0.9263
20 A9E 0.9261
21 1R5 0.9257
22 SJR 0.9251
23 4AJ 0.9233
24 246 0.9215
25 245 0.9214
26 G2V 0.9213
27 7EH 0.9206
28 20N 0.9198
29 90G 0.9191
30 BP5 0.9182
31 ESJ 0.9175
32 KWV 0.9170
33 4P9 0.9166
34 S8P 0.9158
35 121 0.9149
36 WA1 0.9141
37 7G2 0.9137
38 CR4 0.9137
39 SO7 0.9133
40 M4N 0.9129
41 ZTW 0.9116
42 VGV 0.9113
43 40N 0.9112
44 122 0.9110
45 GJG 0.9109
46 BMZ 0.9109
47 C0V 0.9100
48 AD6 0.9099
49 1HP 0.9099
50 801 0.9096
51 08C 0.9091
52 124 0.9090
53 HCC 0.9089
54 Q8G 0.9087
55 HHB 0.9086
56 43G 0.9082
57 F5N 0.9081
58 PIQ 0.9080
59 0UL 0.9079
60 120 0.9076
61 DFL 0.9070
62 68C 0.9069
63 135 0.9067
64 NIF 0.9063
65 4KN 0.9061
66 1Q1 0.9061
67 F41 0.9060
68 MBT 0.9060
69 JV5 0.9059
70 WDW 0.9057
71 9YD 0.9055
72 CT0 0.9055
73 AO 0.9048
74 27F 0.9046
75 Z3R 0.9040
76 1GV 0.9039
77 S0B 0.9034
78 97K 0.9032
79 RGK 0.9031
80 5ZM 0.9026
81 20D 0.9020
82 E92 0.9019
83 CUE 0.9017
84 NKI 0.9016
85 SYD 0.9016
86 0DF 0.9015
87 K0G 0.9014
88 6C8 0.9014
89 BBP 0.9013
90 Q8D 0.9011
91 1UZ 0.9001
92 TFX 0.9000
93 1V4 0.8998
94 UV4 0.8993
95 J84 0.8992
96 FX5 0.8990
97 6JM 0.8987
98 E98 0.8985
99 FHV 0.8984
100 6XR 0.8982
101 J2W 0.8982
102 20P 0.8976
103 LC1 0.8975
104 205 0.8975
105 SQG 0.8971
106 YE6 0.8971
107 1Q2 0.8970
108 LU2 0.8968
109 TEF 0.8967
110 AP6 0.8966
111 8CC 0.8965
112 2JP 0.8956
113 272 0.8955
114 A63 0.8955
115 DX2 0.8954
116 90M 0.8954
117 83D 0.8954
118 RSV 0.8952
119 6FG 0.8951
120 68B 0.8950
121 A8D 0.8949
122 1V3 0.8947
123 22M 0.8947
124 5TO 0.8945
125 4CN 0.8940
126 3F4 0.8938
127 9EG 0.8938
128 KWD 0.8937
129 D64 0.8936
130 4UM 0.8932
131 WLH 0.8930
132 SLX 0.8929
133 1UR 0.8929
134 KVQ 0.8929
135 57U 0.8926
136 FCW 0.8923
137 LI7 0.8917
138 25F 0.8916
139 1V1 0.8915
140 397 0.8915
141 SVG 0.8914
142 23M 0.8913
143 IDZ 0.8910
144 802 0.8909
145 E6Q 0.8906
146 OLU 0.8905
147 A05 0.8904
148 SZ5 0.8900
149 FSE 0.8900
150 LJ5 0.8900
151 0NJ 0.8899
152 3K1 0.8898
153 HAU 0.8896
154 4UE 0.8895
155 7FU 0.8895
156 35K 0.8894
157 NK5 0.8893
158 4AU 0.8890
159 E8Z 0.8887
160 BGK 0.8887
161 A6W 0.8886
162 REG 0.8884
163 BUN 0.8884
164 338 0.8880
165 4ZW 0.8879
166 NAR 0.8875
167 JVD 0.8875
168 ECS 0.8875
169 3WL 0.8872
170 U55 0.8868
171 5OR 0.8867
172 EES 0.8867
173 1UT 0.8864
174 JON 0.8863
175 A73 0.8862
176 JF5 0.8861
177 KVN 0.8859
178 Q0K 0.8858
179 T5J 0.8856
180 2L7 0.8854
181 E9L 0.8854
182 FZ0 0.8854
183 521 0.8850
184 U12 0.8850
185 JPW 0.8848
186 5ET 0.8848
187 1V8 0.8848
188 X2L 0.8845
189 DEH 0.8844
190 HPK 0.8839
191 7FZ 0.8839
192 1XS 0.8838
193 A64 0.8836
194 79X 0.8836
195 AT2 0.8835
196 WG8 0.8835
197 6DQ 0.8834
198 1V0 0.8832
199 797 0.8830
200 S0J 0.8829
201 HWB 0.8829
202 8YH 0.8828
203 0K7 0.8828
204 ZUF 0.8827
205 L2K 0.8825
206 RDV 0.8825
207 6H2 0.8824
208 C4E 0.8822
209 DBE 0.8822
210 U14 0.8820
211 5WW 0.8819
212 C0E 0.8819
213 HH6 0.8819
214 B1W 0.8817
215 B1N 0.8816
216 H0V 0.8814
217 91F 0.8813
218 F36 0.8813
219 KS2 0.8811
220 5VU 0.8809
221 YZ9 0.8809
222 52F 0.8808
223 3MI 0.8808
224 BDE 0.8807
225 JL7 0.8803
226 EQU 0.8802
227 CDJ 0.8800
228 LZ4 0.8800
229 QUE 0.8799
230 5C1 0.8795
231 DX8 0.8794
232 N9M 0.8793
233 MI2 0.8788
234 H2W 0.8788
235 OSY 0.8788
236 EST 0.8784
237 5H6 0.8783
238 6BK 0.8782
239 5WK 0.8780
240 D9Q 0.8780
241 KVW 0.8780
242 T21 0.8779
243 Q92 0.8778
244 2QU 0.8772
245 AJG 0.8771
246 2JX 0.8771
247 W8L 0.8768
248 AGI 0.8766
249 AJ1 0.8763
250 8XY 0.8760
251 TPM 0.8760
252 6QT 0.8758
253 6JO 0.8757
254 4YE 0.8757
255 HUL 0.8755
256 6C5 0.8755
257 BER 0.8755
258 47V 0.8753
259 6MY 0.8750
260 7G0 0.8750
261 MR4 0.8747
262 3SU 0.8746
263 5TT 0.8743
264 1FE 0.8739
265 4BE 0.8739
266 A0R 0.8738
267 6C4 0.8738
268 5EZ 0.8736
269 27K 0.8735
270 GEN 0.8733
271 ESM 0.8732
272 KU1 0.8732
273 FL8 0.8729
274 1OT 0.8727
275 9JT 0.8722
276 M3W 0.8722
277 S0A 0.8722
278 DFV 0.8722
279 JMG 0.8721
280 123 0.8717
281 3DE 0.8717
282 B1K 0.8715
283 517 0.8710
284 XAV 0.8707
285 F08 0.8707
286 KXN 0.8706
287 K3T 0.8705
288 UN3 0.8703
289 O53 0.8699
290 06R 0.8698
291 Q7U 0.8698
292 69W 0.8696
293 TFQ 0.8694
294 KUQ 0.8694
295 3DL 0.8693
296 0QA 0.8693
297 II4 0.8692
298 72H 0.8691
299 LR2 0.8690
300 STL 0.8688
301 LVB 0.8686
302 O9T 0.8686
303 907 0.8684
304 JMM 0.8682
305 F40 0.8681
306 L43 0.8681
307 01I 0.8680
308 KLE 0.8680
309 XZ1 0.8678
310 IEE 0.8676
311 OUG 0.8676
312 29F 0.8674
313 GN5 0.8674
314 LR8 0.8672
315 108 0.8665
316 EEY 0.8662
317 K97 0.8659
318 HMO 0.8656
319 J3Z 0.8656
320 HPZ 0.8653
321 7L4 0.8652
322 6AN 0.8651
323 334 0.8651
324 DDC 0.8646
325 IYX 0.8644
326 TVC 0.8643
327 GHQ 0.8643
328 2P3 0.8641
329 0SX 0.8640
330 MGB 0.8640
331 GW9 0.8639
332 YE7 0.8639
333 TID 0.8638
334 3VQ 0.8637
335 N4N 0.8636
336 6MW 0.8635
337 1EB 0.8630
338 NAL 0.8629
339 FT6 0.8629
340 VT3 0.8626
341 6VW 0.8626
342 MR5 0.8623
343 OGY 0.8622
344 W2E 0.8621
345 CMZ 0.8620
346 3BE 0.8619
347 31F 0.8616
348 L1T 0.8616
349 4HG 0.8610
350 SU9 0.8609
351 1Q4 0.8609
352 0LA 0.8609
353 0XR 0.8608
354 5KN 0.8607
355 NPX 0.8607
356 0RA 0.8605
357 HV4 0.8602
358 5E5 0.8602
359 GUS 0.8601
360 UMP 0.8599
361 3JC 0.8599
362 CBE 0.8597
363 MYU 0.8593
364 NU3 0.8593
365 A98 0.8592
366 GJE 0.8592
367 5ER 0.8591
368 UN9 0.8590
369 KK7 0.8590
370 P4L 0.8584
371 K7H 0.8582
372 SAK 0.8579
373 WF4 0.8575
374 8V8 0.8573
375 36K 0.8571
376 DN8 0.8568
377 57D 0.8557
378 FNT 0.8549
379 2GE 0.8543
380 P93 0.8532
381 5RU 0.8522
382 0OK 0.8517
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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