Receptor
PDB id Resolution Class Description Source Keywords
5J1U 1.8 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH N-(FURAN-3-YLMETP YRROLIDINE-1-CARBOXAMIDE AT 1.80A 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
P93 A:301;
 Valid;
 none;
 submit data
194.23 C10 H14 N2 O2 c1coc...
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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: P93; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P93 1 1
2 6FG 0.446429 0.755556
Similar Ligands (3D)
Ligand no: 1; Ligand: P93; Similar ligands found: 457
No: Ligand Similarity coefficient
1 6C4 0.9817
2 5TO 0.9768
3 6C9 0.9755
4 6C5 0.9748
5 6C8 0.9677
6 PZX 0.9507
7 11X 0.9504
8 NFZ 0.9464
9 JF5 0.9438
10 XI7 0.9430
11 NK5 0.9424
12 BZM 0.9421
13 9VQ 0.9402
14 OJD 0.9402
15 JGY 0.9356
16 848 0.9353
17 S8P 0.9346
18 MJW 0.9344
19 FPL 0.9343
20 3IP 0.9341
21 HLP 0.9327
22 RDV 0.9316
23 0OM 0.9305
24 6MW 0.9268
25 PUE 0.9265
26 4Z9 0.9254
27 1AJ 0.9245
28 VM1 0.9238
29 3VQ 0.9237
30 4AU 0.9232
31 CH8 0.9225
32 TPM 0.9212
33 C4E 0.9212
34 LEL 0.9211
35 MJ5 0.9211
36 LVP 0.9204
37 5B2 0.9203
38 H35 0.9198
39 5TZ 0.9194
40 5FL 0.9194
41 5F8 0.9193
42 ZZA 0.9189
43 G14 0.9188
44 KLE 0.9187
45 LZ5 0.9186
46 C82 0.9185
47 AVA 0.9181
48 ODK 0.9176
49 9BF 0.9167
50 0QA 0.9163
51 IOP 0.9163
52 7O4 0.9158
53 JCZ 0.9156
54 4FP 0.9155
55 D2G 0.9149
56 TRP 0.9143
57 KPV 0.9136
58 363 0.9134
59 22F 0.9132
60 5H6 0.9130
61 6DQ 0.9127
62 FHV 0.9122
63 0UL 0.9119
64 ARG 0.9119
65 6FR 0.9117
66 5F5 0.9116
67 0LO 0.9115
68 FZ3 0.9115
69 GGB 0.9114
70 SOJ 0.9111
71 EQW 0.9107
72 5E5 0.9106
73 3EB 0.9105
74 68B 0.9105
75 DTR 0.9105
76 PRO GLY 0.9101
77 I2E 0.9097
78 0ON 0.9096
79 ZEA 0.9091
80 LL1 0.9088
81 1FE 0.9076
82 BVS 0.9071
83 A6W 0.9068
84 8CC 0.9067
85 GHQ 0.9066
86 FCW 0.9060
87 BSA 0.9059
88 SZ7 0.9056
89 C0W 0.9054
90 7ZO 0.9053
91 49P 0.9051
92 657 0.9047
93 D1G 0.9047
94 ILO 0.9046
95 NAL 0.9040
96 3IL 0.9038
97 GNW 0.9036
98 EQA 0.9030
99 BQ2 0.9026
100 2D2 0.9023
101 HAR 0.9021
102 Q4G 0.9019
103 IQQ 0.9016
104 9JT 0.9016
105 HXY 0.9015
106 A9B 0.9013
107 5C1 0.9010
108 5WN 0.9008
109 PIQ 0.9003
110 GJG 0.9001
111 S0F 0.9001
112 TCR 0.8999
113 M4N 0.8994
114 3KJ 0.8988
115 DAR 0.8987
116 IAR 0.8987
117 78Y 0.8984
118 EMU 0.8982
119 EUH 0.8980
120 U7E 0.8980
121 2P3 0.8978
122 L5D 0.8977
123 B5A 0.8969
124 3VW 0.8968
125 HSA 0.8967
126 S1D 0.8966
127 5PV 0.8964
128 A7Q 0.8964
129 4BX 0.8963
130 F40 0.8960
131 DA2 0.8960
132 3D8 0.8960
133 SB7 0.8958
134 MKN 0.8957
135 L2K 0.8956
136 9JH 0.8947
137 KF5 0.8947
138 4TB 0.8947
139 D4G 0.8946
140 0K7 0.8943
141 BZQ 0.8943
142 1PS 0.8940
143 GZ2 0.8939
144 DI9 0.8938
145 CIR 0.8937
146 2GQ 0.8937
147 7L4 0.8936
148 4JK 0.8935
149 WT2 0.8935
150 9F8 0.8934
151 DHC 0.8933
152 3SU 0.8933
153 P4L 0.8929
154 AMR 0.8929
155 3CX 0.8926
156 JSX 0.8925
157 KAP 0.8924
158 HC4 0.8924
159 HRG 0.8924
160 EYY 0.8923
161 0NX 0.8920
162 S0B 0.8920
163 RKV 0.8920
164 EV2 0.8919
165 VBC 0.8918
166 A5H 0.8916
167 LFQ 0.8916
168 K48 0.8915
169 D25 0.8914
170 AOY 0.8913
171 YE6 0.8912
172 D1Y 0.8912
173 7MW 0.8910
174 E9P 0.8909
175 833 0.8907
176 AZM 0.8906
177 LR2 0.8905
178 1XS 0.8905
179 II4 0.8904
180 1YO 0.8904
181 TBJ 0.8903
182 PML 0.8902
183 2QU 0.8902
184 OOG 0.8899
185 FCD 0.8897
186 HH6 0.8897
187 EYV 0.8897
188 EXG 0.8896
189 IDZ 0.8896
190 A51 0.8895
191 LRW 0.8893
192 JMG 0.8888
193 DBE 0.8887
194 ZEZ 0.8887
195 VUR 0.8886
196 AUV 0.8883
197 4FF 0.8882
198 YIP 0.8882
199 7VY 0.8880
200 1V3 0.8879
201 6J5 0.8878
202 LVD 0.8877
203 ASE 0.8876
204 47V 0.8872
205 N18 0.8872
206 SQV 0.8872
207 D3G 0.8871
208 EGV 0.8869
209 4YZ 0.8864
210 STV 0.8863
211 ERZ 0.8863
212 GGG 0.8861
213 SYE 0.8861
214 ITW 0.8858
215 HHV 0.8857
216 MD6 0.8857
217 0DF 0.8856
218 0QV 0.8853
219 4FE 0.8851
220 2FX 0.8851
221 B41 0.8849
222 AAN 0.8849
223 HMZ 0.8848
224 X48 0.8846
225 Y3L 0.8846
226 L1T 0.8845
227 DXK 0.8845
228 8YH 0.8844
229 RVE 0.8843
230 GO2 0.8843
231 TMG 0.8842
232 EWG 0.8842
233 CBE 0.8841
234 5SP 0.8838
235 1V4 0.8838
236 PPN 0.8838
237 4MP 0.8837
238 P1J 0.8835
239 EYJ 0.8833
240 2JX 0.8833
241 HA6 0.8832
242 AZY 0.8830
243 3C5 0.8828
244 2UD 0.8824
245 TOH 0.8823
246 492 0.8822
247 8CV 0.8822
248 XCG 0.8821
249 S8G 0.8819
250 M3L 0.8819
251 P81 0.8818
252 GVA 0.8817
253 SSY 0.8817
254 IAC 0.8817
255 6HN 0.8816
256 HPP 0.8814
257 API 0.8813
258 ALY 0.8811
259 GNR 0.8810
260 5NN 0.8809
261 VFG 0.8808
262 0OY 0.8808
263 VFM 0.8805
264 I58 0.8805
265 YE7 0.8803
266 AHL 0.8802
267 CHQ 0.8802
268 VGS 0.8802
269 JVD 0.8801
270 KYN 0.8799
271 TYR 0.8799
272 SSC 0.8797
273 F63 0.8796
274 BC3 0.8796
275 LTN 0.8795
276 20D 0.8793
277 272 0.8792
278 DFL 0.8792
279 P80 0.8792
280 BL0 0.8788
281 AJ1 0.8786
282 6N4 0.8785
283 SVG 0.8784
284 78U 0.8783
285 2L1 0.8778
286 4MB 0.8775
287 ENO 0.8774
288 5RP 0.8773
289 795 0.8772
290 0SY 0.8772
291 J9Y 0.8768
292 M5H 0.8768
293 DAH 0.8768
294 5KJ 0.8768
295 Q86 0.8766
296 E9S 0.8766
297 OA1 0.8765
298 DX5 0.8763
299 TIA 0.8761
300 UN3 0.8761
301 A73 0.8760
302 2LW 0.8758
303 L03 0.8758
304 25F 0.8757
305 FT6 0.8756
306 N9J 0.8755
307 NIY 0.8753
308 3VR 0.8753
309 4NS 0.8751
310 FER 0.8751
311 SCE 0.8747
312 A98 0.8745
313 G30 0.8742
314 TB8 0.8741
315 MVH 0.8739
316 PLR 0.8738
317 9CE 0.8737
318 1V1 0.8737
319 PQT 0.8736
320 1HR 0.8734
321 ZZU 0.8733
322 S0D 0.8732
323 7ZL 0.8727
324 27K 0.8726
325 SNJ 0.8726
326 RGK 0.8725
327 D26 0.8724
328 3F4 0.8724
329 RSV 0.8723
330 DMA 0.8723
331 58X 0.8723
332 JCQ 0.8723
333 5O6 0.8721
334 P2L 0.8720
335 8D6 0.8719
336 KNA 0.8717
337 HJ7 0.8717
338 MP5 0.8716
339 RA7 0.8714
340 QR2 0.8714
341 37E 0.8712
342 U4J 0.8708
343 GB4 0.8708
344 FC2 0.8708
345 D9Z 0.8706
346 IPJ 0.8706
347 ZIP 0.8706
348 SZ5 0.8704
349 C0H 0.8703
350 PNP 0.8700
351 PMV 0.8699
352 5LD 0.8698
353 TCC 0.8696
354 FZ0 0.8694
355 4NP 0.8693
356 7EH 0.8693
357 6L6 0.8693
358 WCU 0.8692
359 JFS 0.8691
360 96Z 0.8690
361 MZM 0.8690
362 U13 0.8688
363 3GX 0.8688
364 TYE 0.8688
365 S46 0.8687
366 5AD 0.8686
367 PAU 0.8685
368 3XH 0.8684
369 6SD 0.8684
370 PLP 0.8683
371 BBY 0.8682
372 F18 0.8681
373 WA2 0.8680
374 5OO 0.8680
375 NOT 0.8679
376 ISC 0.8676
377 YIE 0.8676
378 4XF 0.8673
379 9J6 0.8673
380 DY8 0.8670
381 3VS 0.8667
382 5DS 0.8666
383 64Z 0.8664
384 JOT 0.8664
385 9UL 0.8663
386 KMY 0.8662
387 PRL 0.8662
388 JAH 0.8661
389 HWH 0.8659
390 YOF 0.8659
391 AVX 0.8659
392 NKI 0.8659
393 1HP 0.8658
394 ZRK 0.8657
395 ENG 0.8656
396 IOS 0.8651
397 4I8 0.8651
398 4TP 0.8650
399 KDG 0.8649
400 LL2 0.8649
401 F6R 0.8648
402 GXD 0.8647
403 1ER 0.8643
404 YZM 0.8641
405 N7I 0.8639
406 REG 0.8638
407 K7H 0.8638
408 M28 0.8636
409 5VU 0.8636
410 5V7 0.8633
411 BGT 0.8633
412 GB5 0.8630
413 J1K 0.8628
414 M78 0.8628
415 GK8 0.8628
416 MMJ 0.8628
417 D8Q 0.8627
418 AJG 0.8626
419 0XR 0.8625
420 Q5M 0.8619
421 CSN 0.8618
422 CC5 0.8616
423 0MB 0.8616
424 AX4 0.8613
425 6KT 0.8609
426 LI7 0.8608
427 TCA 0.8605
428 X2M 0.8604
429 JF8 0.8601
430 MF3 0.8600
431 TIZ 0.8598
432 M6H 0.8597
433 GLR 0.8597
434 AGP 0.8596
435 PPY 0.8596
436 6FB 0.8595
437 90G 0.8592
438 U14 0.8591
439 YZ9 0.8589
440 5GT 0.8586
441 N8C 0.8579
442 S6P 0.8579
443 FZM 0.8571
444 S7D 0.8563
445 OCA 0.8563
446 M3W 0.8558
447 A5P 0.8557
448 DUR 0.8556
449 ZYQ 0.8547
450 M5E 0.8546
451 RPN 0.8542
452 1SF 0.8536
453 BGU 0.8533
454 RF2 0.8532
455 TZP 0.8529
456 HCI 0.8515
457 MXD 0.8509
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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