Receptor
PDB id Resolution Class Description Source Keywords
5F1J 1.63 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND 1 AT 1.R ESOLUTION MYCOBACTERIUM TUBERCULOSIS CDC1551 ETHR TRANSCRIPTION REPRESSOR MYCOBACTERIUM TUBERCULOSIS
Ref.: A FRAGMENT MERGING APPROACH TOWARDS THE DEVELOPMENT MOLECULE INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS E USE AS ETHIONAMIDE BOOSTERS. ORG.BIOMOL.CHEM. V. 14 2318 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5TO A:301;
A:302;
 Valid;
Valid;
 none;
none;
 Kd = 12 uM
195.301 C12 H21 N O 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: 5TO; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 5TO 1 1
2 RDV 0.682927 0.75
3 5TD 0.482759 0.727273
4 5T0 0.474576 0.680851
Similar Ligands (3D)
Ligand no: 1; Ligand: 5TO; Similar ligands found: 774
No: Ligand Similarity coefficient
1 6C8 0.9973
2 6C5 0.9844
3 6FG 0.9790
4 P93 0.9768
5 6C9 0.9737
6 6C4 0.9633
7 JF5 0.9626
8 JGY 0.9597
9 BZM 0.9532
10 848 0.9509
11 0OM 0.9502
12 NFZ 0.9494
13 6FR 0.9481
14 4AU 0.9473
15 4Z0 0.9468
16 C4E 0.9465
17 FHV 0.9451
18 0QA 0.9449
19 EYJ 0.9447
20 S8P 0.9445
21 0ON 0.9424
22 JMG 0.9419
23 68B 0.9414
24 A6W 0.9412
25 4Z9 0.9410
26 0UL 0.9358
27 PZX 0.9353
28 3IP 0.9353
29 LVP 0.9348
30 LZ5 0.9347
31 IOP 0.9334
32 9VQ 0.9333
33 KLE 0.9331
34 NK5 0.9327
35 D25 0.9322
36 3VQ 0.9320
37 M5B 0.9314
38 TRP 0.9312
39 5H6 0.9308
40 9JT 0.9307
41 MKN 0.9300
42 KPV 0.9288
43 0K7 0.9287
44 FCW 0.9276
45 MJW 0.9267
46 6J5 0.9265
47 G8V 0.9257
48 5F8 0.9257
49 GHQ 0.9256
50 YIP 0.9253
51 ZZA 0.9250
52 8CC 0.9247
53 G14 0.9242
54 3IL 0.9240
55 L2K 0.9237
56 M4N 0.9237
57 BVS 0.9237
58 I2E 0.9232
59 PIQ 0.9231
60 H35 0.9231
61 6DQ 0.9231
62 SOJ 0.9229
63 5FL 0.9227
64 A9B 0.9223
65 ZZU 0.9223
66 11X 0.9221
67 OJD 0.9218
68 ODK 0.9213
69 5PV 0.9211
70 LR2 0.9206
71 22F 0.9206
72 J4K 0.9205
73 6MW 0.9205
74 VM1 0.9204
75 5B2 0.9202
76 1A5 0.9197
77 CBE 0.9195
78 FZ3 0.9193
79 BSA 0.9189
80 1FE 0.9189
81 245 0.9189
82 DTR 0.9187
83 5E5 0.9185
84 4NP 0.9182
85 SB7 0.9182
86 1XS 0.9182
87 WA1 0.9181
88 9BF 0.9177
89 833 0.9174
90 IDZ 0.9167
91 3CX 0.9166
92 0DF 0.9163
93 0OP 0.9163
94 MJ5 0.9163
95 4YZ 0.9162
96 LTN 0.9161
97 AVA 0.9153
98 4BX 0.9151
99 LPA 0.9147
100 D4G 0.9145
101 EYY 0.9142
102 LL2 0.9140
103 N9M 0.9139
104 D26 0.9138
105 HPX 0.9138
106 1YO 0.9133
107 4FP 0.9131
108 2D2 0.9130
109 XI7 0.9129
110 FPL 0.9128
111 YIH 0.9127
112 5O5 0.9127
113 HLP 0.9119
114 S0B 0.9116
115 GB5 0.9116
116 9JH 0.9115
117 L12 0.9114
118 Q4G 0.9114
119 ITW 0.9112
120 IPJ 0.9111
121 PML 0.9111
122 P7V 0.9106
123 L1T 0.9105
124 JCZ 0.9105
125 C0W 0.9104
126 GVA 0.9098
127 NAL 0.9097
128 RSV 0.9094
129 EXG 0.9094
130 TPM 0.9093
131 1HP 0.9092
132 3SU 0.9091
133 47V 0.9091
134 2P3 0.9090
135 5F5 0.9087
136 0MB 0.9086
137 EQA 0.9083
138 37E 0.9082
139 Z70 0.9080
140 1PS 0.9080
141 HSA 0.9076
142 BSU 0.9073
143 6P3 0.9072
144 SNJ 0.9069
145 5VU 0.9068
146 ZE7 0.9066
147 MYT 0.9066
148 PUE 0.9065
149 1AJ 0.9065
150 TYR 0.9064
151 PPN 0.9060
152 DFL 0.9060
153 7L4 0.9059
154 FY8 0.9057
155 DA3 0.9056
156 EMU 0.9054
157 2J5 0.9054
158 1V4 0.9054
159 7EH 0.9054
160 GG8 0.9053
161 L5D 0.9052
162 D53 0.9052
163 4TB 0.9052
164 3D8 0.9051
165 39R 0.9047
166 OLU 0.9047
167 5WN 0.9046
168 PHQ ALA 0.9046
169 WDW 0.9046
170 4CN 0.9044
171 58X 0.9044
172 F40 0.9044
173 EQW 0.9043
174 FT6 0.9043
175 4FE 0.9042
176 5C1 0.9041
177 DHC 0.9041
178 MGB 0.9038
179 4FF 0.9038
180 3IB 0.9037
181 DTY 0.9036
182 KLS 0.9035
183 S7S 0.9034
184 RKV 0.9033
185 HPK 0.9032
186 RK4 0.9031
187 5TZ 0.9028
188 C82 0.9026
189 S0D 0.9026
190 20D 0.9025
191 27K 0.9023
192 S46 0.9022
193 S8G 0.9022
194 YTZ 0.9022
195 7O4 0.9021
196 6H2 0.9019
197 3QO 0.9017
198 CH8 0.9017
199 WCU 0.9016
200 T03 0.9015
201 CUQ 0.9015
202 HC4 0.9014
203 IQQ 0.9014
204 LL1 0.9013
205 ARG 0.9013
206 API 0.9013
207 PNP 0.9011
208 5SP 0.9011
209 P4T 0.9009
210 78Y 0.9009
211 SYE 0.9009
212 3EB 0.9008
213 GGB 0.9007
214 DBE 0.9007
215 PRO GLY 0.9005
216 GJG 0.9004
217 TOH 0.9003
218 0OY 0.9002
219 A51 0.9002
220 HA6 0.9001
221 PQM 0.9000
222 JX7 0.9000
223 ZIP 0.9000
224 Y3L 0.8999
225 HRG 0.8997
226 IJ6 0.8997
227 2GQ 0.8994
228 HAR 0.8994
229 HXY 0.8993
230 YE6 0.8991
231 G2V 0.8990
232 STV 0.8989
233 363 0.8988
234 PHQ DAL 0.8988
235 A5H 0.8987
236 GNW 0.8987
237 GB4 0.8986
238 M1T 0.8986
239 S1D 0.8986
240 D2G 0.8985
241 1V1 0.8985
242 LEL 0.8984
243 0A1 0.8984
244 HX8 0.8982
245 5S9 0.8981
246 JSX 0.8981
247 REG 0.8981
248 4AF 0.8977
249 OOG 0.8976
250 D1G 0.8976
251 4Z1 0.8976
252 2QU 0.8976
253 1V3 0.8975
254 LPB 0.8974
255 U13 0.8974
256 H75 0.8974
257 F18 0.8974
258 VJJ 0.8973
259 D1Y 0.8973
260 EXR 0.8973
261 VBC 0.8973
262 2JX 0.8972
263 JPQ 0.8972
264 E8U 0.8971
265 KYN 0.8967
266 3F4 0.8966
267 TR7 0.8966
268 96Z 0.8965
269 0XR 0.8964
270 3KJ 0.8963
271 R7T 0.8962
272 LIG 0.8961
273 MP5 0.8960
274 ZEA 0.8960
275 9NB 0.8960
276 4MP 0.8959
277 SJR 0.8958
278 QBP 0.8958
279 WVV 0.8957
280 EUH 0.8957
281 LO1 0.8956
282 RGK 0.8955
283 N2Y 0.8954
284 TB8 0.8954
285 SFY 0.8954
286 S7G 0.8953
287 NIY 0.8952
288 EWG 0.8950
289 BZQ 0.8950
290 NRG 0.8949
291 QME 0.8949
292 A8K 0.8949
293 P4L 0.8948
294 HH6 0.8948
295 F91 0.8948
296 HHV 0.8947
297 UN3 0.8947
298 SZ5 0.8947
299 QIV 0.8946
300 DAR 0.8946
301 RF2 0.8945
302 AOY 0.8945
303 B5A 0.8941
304 2FX 0.8941
305 TBJ 0.8940
306 8CV 0.8940
307 YF3 0.8940
308 ENG 0.8937
309 1EB 0.8936
310 VFG 0.8936
311 8D6 0.8935
312 4JK 0.8934
313 S0W 0.8932
314 TEG 0.8932
315 3VS 0.8931
316 MFY 0.8931
317 EGV 0.8931
318 S0A 0.8931
319 RA7 0.8929
320 2L1 0.8928
321 TID 0.8927
322 0LO 0.8926
323 GGG 0.8925
324 6HN 0.8925
325 1R5 0.8925
326 TMG 0.8924
327 MLY 0.8923
328 KWB 0.8923
329 NPI 0.8922
330 A73 0.8919
331 U14 0.8918
332 B41 0.8917
333 LRW 0.8915
334 JCQ 0.8915
335 ERZ 0.8914
336 4DI 0.8913
337 VC3 0.8913
338 49P 0.8913
339 SZ7 0.8913
340 K0G 0.8913
341 CT0 0.8912
342 LJ5 0.8912
343 4EU 0.8912
344 90G 0.8911
345 26P 0.8910
346 ASE 0.8909
347 0OO 0.8909
348 RE4 0.8909
349 DI9 0.8908
350 YE7 0.8908
351 28A 0.8908
352 TYC 0.8907
353 SVG 0.8907
354 397 0.8906
355 AZM 0.8906
356 ENO 0.8905
357 ZEZ 0.8904
358 AHL 0.8903
359 4ZD 0.8902
360 ILO 0.8902
361 795 0.8901
362 RVE 0.8901
363 HWH 0.8900
364 EXY 0.8900
365 LR8 0.8900
366 25F 0.8899
367 0OK 0.8899
368 P3S 0.8898
369 IAR 0.8898
370 FYR 0.8898
371 PQT 0.8896
372 DXK 0.8896
373 VGS 0.8895
374 TYE 0.8894
375 5RP 0.8894
376 2QV 0.8894
377 SX2 0.8894
378 T07 0.8893
379 AJG 0.8891
380 AJ1 0.8891
381 9VZ 0.8889
382 PMV 0.8889
383 4RG 0.8887
384 A7Q 0.8887
385 ZTW 0.8886
386 PLP 0.8885
387 D8Y 0.8884
388 52F 0.8884
389 CLT 0.8883
390 272 0.8882
391 60L 0.8881
392 R10 0.8879
393 NBB 0.8878
394 NKI 0.8877
395 J1K 0.8876
396 8YH 0.8875
397 JFS 0.8875
398 GRQ 0.8871
399 AUV 0.8871
400 4MB 0.8870
401 2E6 0.8870
402 ZRK 0.8869
403 A9E 0.8868
404 FZ0 0.8868
405 GO2 0.8868
406 2M7 0.8867
407 VFM 0.8866
408 P2L 0.8865
409 5ER 0.8864
410 PTB 0.8863
411 SWX 0.8863
412 U7E 0.8862
413 QH3 0.8862
414 II4 0.8862
415 E9S 0.8860
416 S7D 0.8860
417 4NS 0.8860
418 I58 0.8859
419 JKK 0.8858
420 3GZ 0.8858
421 DAH 0.8857
422 AZY 0.8857
423 CIR 0.8856
424 2E4 0.8856
425 A98 0.8856
426 IPE 0.8855
427 8OB 0.8855
428 0SY 0.8854
429 9F8 0.8854
430 4ZF 0.8853
431 7ZL 0.8851
432 YOF 0.8850
433 4G2 0.8849
434 WLH 0.8847
435 CUH 0.8847
436 5NN 0.8846
437 5KJ 0.8846
438 U4J 0.8845
439 FWD 0.8845
440 XOG 0.8843
441 2J3 0.8843
442 XCG 0.8843
443 3D3 0.8842
444 PLR 0.8842
445 LI7 0.8841
446 RGP 0.8840
447 P1J 0.8840
448 MD6 0.8839
449 NIF 0.8838
450 0NX 0.8837
451 0V8 0.8836
452 7VY 0.8836
453 78U 0.8836
454 20N 0.8834
455 ENW 0.8833
456 536 0.8833
457 L03 0.8832
458 Q06 0.8832
459 FCD 0.8831
460 A18 0.8831
461 N9J 0.8831
462 7MW 0.8830
463 AHN 0.8830
464 DX5 0.8829
465 DDC 0.8828
466 3VW 0.8826
467 2O8 0.8825
468 0QV 0.8824
469 RES 0.8824
470 NMM 0.8822
471 EPE 0.8821
472 P81 0.8821
473 FZM 0.8820
474 SSY 0.8820
475 FER 0.8819
476 SB9 0.8818
477 1Q4 0.8818
478 ESJ 0.8817
479 HWD 0.8817
480 657 0.8815
481 DZA 0.8815
482 9CE 0.8814
483 S0F 0.8814
484 D9Z 0.8812
485 WT2 0.8812
486 M3L 0.8812
487 J9Y 0.8812
488 ALY 0.8812
489 7G0 0.8810
490 4CF 0.8808
491 7KE 0.8808
492 5WK 0.8808
493 64Z 0.8807
494 6SD 0.8806
495 22T 0.8806
496 RNK 0.8805
497 S7V 0.8803
498 492 0.8803
499 8OE 0.8800
500 HPZ 0.8799
501 G30 0.8798
502 7FZ 0.8798
503 613 0.8798
504 F98 0.8796
505 5OO 0.8795
506 PPT 0.8795
507 C4F 0.8795
508 HPP 0.8794
509 JAH 0.8793
510 AHC 0.8792
511 DMA 0.8791
512 6N4 0.8788
513 IYR 0.8788
514 5TT 0.8787
515 KAP 0.8786
516 CX5 0.8786
517 IAG 0.8785
518 Z3R 0.8784
519 MMS 0.8784
520 MVH 0.8782
521 5ZM 0.8782
522 DA2 0.8782
523 9J6 0.8780
524 KF5 0.8780
525 GLR 0.8779
526 LJ2 0.8778
527 W8L 0.8777
528 TCR 0.8776
529 E3X 0.8775
530 14W 0.8773
531 F90 0.8772
532 YIE 0.8772
533 IJ4 0.8772
534 AVX 0.8772
535 AD6 0.8772
536 MLZ 0.8771
537 1SF 0.8770
538 BB4 0.8770
539 4HB 0.8770
540 3C5 0.8769
541 7G2 0.8768
542 94X 0.8767
543 F63 0.8767
544 D3G 0.8766
545 C0H 0.8766
546 4GU 0.8766
547 TCC 0.8765
548 KPA 0.8765
549 RV1 0.8765
550 A05 0.8763
551 SZA 0.8761
552 DTB 0.8761
553 SCE 0.8758
554 Q86 0.8758
555 CDJ 0.8757
556 3NM 0.8757
557 AX5 0.8757
558 JVB 0.8756
559 KNA 0.8755
560 5O6 0.8754
561 Q0K 0.8754
562 AMR 0.8753
563 7N8 0.8753
564 QR2 0.8752
565 X6W 0.8752
566 E9L 0.8752
567 H2W 0.8751
568 BP7 0.8751
569 A5P 0.8750
570 MMJ 0.8749
571 CWD 0.8748
572 KWV 0.8745
573 M3W 0.8745
574 DKA 0.8744
575 6ZX 0.8744
576 HCT 0.8743
577 6QT 0.8743
578 011 0.8742
579 GJB 0.8742
580 EIP 0.8742
581 3H2 0.8741
582 GLY GLY GLY 0.8741
583 08D 0.8740
584 GVY 0.8739
585 U12 0.8738
586 BGT 0.8738
587 VUR 0.8737
588 CHQ 0.8736
589 S45 0.8735
590 5NR 0.8735
591 GZ2 0.8732
592 3VX 0.8732
593 RDM 0.8730
594 NOT 0.8729
595 IPR 0.8728
596 N4E 0.8727
597 VFJ 0.8726
598 LFQ 0.8726
599 GJK 0.8726
600 N8C 0.8726
601 BWD 0.8723
602 2PV 0.8723
603 XEN 0.8722
604 14N 0.8721
605 PA5 0.8720
606 NLG 0.8719
607 TOM 0.8719
608 36M 0.8719
609 JVD 0.8718
610 F06 0.8718
611 ZRL 0.8717
612 NQ7 0.8715
613 9UL 0.8715
614 BGK 0.8714
615 9FH 0.8714
616 PRL 0.8713
617 TZP 0.8713
618 EAT 0.8713
619 7R4 0.8712
620 K48 0.8712
621 1HR 0.8711
622 MF3 0.8710
623 WA2 0.8710
624 8V8 0.8710
625 MR4 0.8710
626 D64 0.8709
627 7FU 0.8709
628 DCN 0.8709
629 PFF 0.8708
630 3GX 0.8707
631 X48 0.8706
632 G6Q 0.8706
633 EEK 0.8704
634 4KJ 0.8702
635 ALA GLU 0.8702
636 LXP 0.8700
637 2PK 0.8699
638 X2M 0.8697
639 QTD 0.8696
640 WV7 0.8695
641 HJH 0.8695
642 OCA 0.8695
643 S6P 0.8694
644 P80 0.8693
645 GK8 0.8693
646 U4G 0.8693
647 BQ2 0.8692
648 6HO 0.8691
649 OKP 0.8690
650 6BK 0.8690
651 DED 0.8690
652 LJ4 0.8690
653 HL6 0.8689
654 JA5 0.8689
655 VT3 0.8688
656 Q8G 0.8688
657 LC1 0.8687
658 G1L 0.8686
659 0X2 0.8686
660 J38 0.8686
661 LJ1 0.8686
662 STX 0.8685
663 LZ4 0.8685
664 72D 0.8684
665 IWD 0.8684
666 8EU 0.8682
667 CX6 0.8682
668 HPO 0.8680
669 67Y 0.8680
670 R5P 0.8679
671 FMQ 0.8679
672 M28 0.8676
673 A63 0.8676
674 MR5 0.8676
675 TX4 0.8672
676 801 0.8668
677 2OX 0.8666
678 92G 0.8666
679 CMG 0.8665
680 8M5 0.8664
681 XYP XYP 0.8660
682 C9M 0.8659
683 L02 0.8659
684 ST3 0.8656
685 1OT 0.8656
686 2MR 0.8656
687 B1J 0.8656
688 C53 0.8655
689 PAU 0.8655
690 2NP 0.8654
691 OA1 0.8653
692 HMZ 0.8651
693 28B 0.8651
694 GPE 0.8651
695 3YP 0.8651
696 27F 0.8646
697 RPN 0.8646
698 08C 0.8645
699 V15 0.8645
700 IQW 0.8643
701 M78 0.8642
702 AP6 0.8642
703 BG6 0.8641
704 S62 0.8639
705 ALA ALA ALA 0.8639
706 CXH 0.8638
707 UAY 0.8637
708 4BF 0.8635
709 HCC 0.8635
710 FC2 0.8634
711 91F 0.8633
712 JOT 0.8633
713 AGP 0.8632
714 HNT 0.8632
715 BX4 0.8632
716 K7H 0.8630
717 7PJ 0.8629
718 9AG 0.8624
719 MW5 0.8623
720 F6R 0.8622
721 GF7 0.8620
722 4I8 0.8620
723 5OR 0.8618
724 6DH 0.8616
725 3WL 0.8615
726 G6P 0.8614
727 4NR 0.8611
728 5DL 0.8611
729 5P3 0.8610
730 MQR 0.8609
731 XIL 0.8608
732 YZ9 0.8607
733 N18 0.8606
734 3TC 0.8605
735 0CH 0.8605
736 FTK 0.8602
737 JF8 0.8602
738 PFT 0.8602
739 3G3 0.8602
740 3VR 0.8601
741 BBY 0.8600
742 XIF XYP 0.8600
743 OHJ 0.8598
744 DFV 0.8597
745 U55 0.8596
746 Q9Z 0.8591
747 2L2 0.8591
748 TIA 0.8588
749 M2E 0.8583
750 KP2 0.8582
751 S2C 0.8581
752 STL 0.8580
753 XYP XIF 0.8574
754 PBN 0.8571
755 F6P 0.8569
756 XDL XYP 0.8569
757 1UZ 0.8568
758 120 0.8565
759 M6R 0.8564
760 39Z 0.8563
761 IEE 0.8562
762 JBZ 0.8560
763 EDG AHR 0.8557
764 5M2 0.8556
765 D8Q 0.8541
766 ABH 0.8536
767 EES 0.8536
768 38E 0.8535
769 CIY 0.8533
770 K4V 0.8521
771 3JC 0.8519
772 K3D 0.8516
773 N91 0.8515
774 SPD 0.8515
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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