Receptor
PDB id Resolution Class Description Source Keywords
5IOY 1.77 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH N-(CYCLOPENTYLMEP YRROLIDINE-1-CARBOXAMIDE AT 1.77A 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
SO4 A:303;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
6C5 A:301;
A:304;
A:302;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 6 uM
196.289 C11 H20 N2 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: 6C5; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 6C5 1 1
2 6C9 0.586957 0.844444
3 5T4 0.517857 0.76
4 841 0.491525 0.77551
Similar Ligands (3D)
Ligand no: 1; Ligand: 6C5; Similar ligands found: 797
No: Ligand Similarity coefficient
1 6C8 0.9863
2 5TO 0.9844
3 6C4 0.9806
4 6FG 0.9756
5 P93 0.9748
6 RDV 0.9615
7 JF5 0.9605
8 HLP 0.9568
9 PZX 0.9542
10 0QA 0.9531
11 JGY 0.9512
12 SOJ 0.9511
13 LZ5 0.9483
14 S8P 0.9442
15 JMG 0.9440
16 11X 0.9436
17 6FR 0.9417
18 4AU 0.9416
19 NFZ 0.9412
20 C4E 0.9397
21 N9M 0.9386
22 OJD 0.9386
23 0OM 0.9362
24 LVP 0.9358
25 0ON 0.9357
26 EYJ 0.9356
27 BZM 0.9350
28 68B 0.9346
29 4FP 0.9341
30 NK5 0.9338
31 C53 0.9333
32 MJW 0.9320
33 KLE 0.9317
34 IOP 0.9307
35 3VQ 0.9306
36 R7T 0.9286
37 5B2 0.9283
38 0UL 0.9281
39 GHQ 0.9278
40 FHV 0.9277
41 5H6 0.9260
42 4BX 0.9260
43 I2E 0.9257
44 C82 0.9254
45 6DQ 0.9253
46 ODK 0.9253
47 9BF 0.9247
48 1FE 0.9246
49 6MW 0.9241
50 TRP 0.9240
51 A6W 0.9232
52 0K7 0.9230
53 4Z9 0.9230
54 D4G 0.9230
55 FPL 0.9226
56 GNW 0.9224
57 3CX 0.9221
58 5E5 0.9221
59 XI7 0.9220
60 RK4 0.9217
61 G14 0.9213
62 FER 0.9208
63 IOS 0.9207
64 H35 0.9207
65 M4N 0.9206
66 NAL 0.9206
67 DTR 0.9204
68 ZZA 0.9204
69 4Z0 0.9203
70 PUE 0.9198
71 LR2 0.9197
72 8CC 0.9194
73 A7Q 0.9193
74 EQW 0.9191
75 GGB 0.9189
76 WCU 0.9185
77 BVS 0.9179
78 HX8 0.9179
79 B5A 0.9178
80 9JT 0.9174
81 DA3 0.9166
82 ARG 0.9166
83 PIQ 0.9162
84 EYY 0.9161
85 D25 0.9158
86 L1T 0.9158
87 1XS 0.9157
88 EQA 0.9156
89 3IP 0.9155
90 B41 0.9153
91 M5B 0.9151
92 PTB 0.9147
93 5FL 0.9146
94 3IB 0.9142
95 5F8 0.9141
96 MKN 0.9137
97 DBE 0.9134
98 PRO GLY 0.9131
99 5PV 0.9130
100 2D2 0.9127
101 KPV 0.9127
102 58X 0.9125
103 4FF 0.9122
104 4TB 0.9119
105 6J5 0.9119
106 0FR 0.9117
107 A9B 0.9117
108 CUQ 0.9115
109 848 0.9114
110 7VY 0.9113
111 S0F 0.9112
112 CUT 0.9107
113 SYE 0.9107
114 LVD 0.9105
115 0DF 0.9105
116 9JH 0.9101
117 5LD 0.9099
118 ENO 0.9096
119 3SU 0.9095
120 1PS 0.9093
121 EUH 0.9088
122 EXR 0.9085
123 L2K 0.9085
124 9VQ 0.9083
125 JCZ 0.9083
126 TYR 0.9082
127 C0W 0.9080
128 HXY 0.9080
129 VM1 0.9079
130 ITW 0.9078
131 833 0.9076
132 7O4 0.9075
133 0OY 0.9074
134 J4K 0.9074
135 TPM 0.9074
136 AVA 0.9073
137 HAR 0.9072
138 FZM 0.9072
139 4Z1 0.9072
140 QIV 0.9072
141 STV 0.9071
142 A51 0.9070
143 KLS 0.9070
144 2P3 0.9068
145 TMG 0.9067
146 3IL 0.9066
147 BL0 0.9066
148 5SP 0.9066
149 DHC 0.9065
150 BZQ 0.9064
151 1AJ 0.9064
152 0OO 0.9063
153 0A1 0.9063
154 Q9P 0.9063
155 4OG 0.9063
156 DAH 0.9061
157 EXG 0.9061
158 ZZU 0.9060
159 3VW 0.9059
160 47V 0.9058
161 Z70 0.9058
162 XRX 0.9057
163 HA6 0.9057
164 7L4 0.9057
165 HH6 0.9052
166 MJ5 0.9051
167 A5H 0.9049
168 RKV 0.9049
169 SQV 0.9047
170 1HP 0.9047
171 BSA 0.9047
172 P7V 0.9045
173 KYN 0.9044
174 PHQ DAL 0.9043
175 HRG 0.9039
176 D1Y 0.9039
177 D2G 0.9038
178 ERZ 0.9038
179 HPP 0.9038
180 IDZ 0.9035
181 78Y 0.9035
182 LTN 0.9035
183 JX7 0.9034
184 EYV 0.9034
185 G8V 0.9030
186 22F 0.9030
187 245 0.9029
188 363 0.9028
189 CH8 0.9025
190 ENG 0.9023
191 4NP 0.9023
192 536 0.9020
193 F91 0.9019
194 LFQ 0.9016
195 7ZO 0.9016
196 DFL 0.9016
197 CBE 0.9015
198 S0B 0.9014
199 YIE 0.9014
200 0QV 0.9011
201 5VU 0.9009
202 PPN 0.9009
203 2GQ 0.9007
204 9W5 0.9006
205 4NS 0.9003
206 4YZ 0.9001
207 Y3L 0.8999
208 TBJ 0.8999
209 L12 0.8999
210 5F5 0.8994
211 5WN 0.8993
212 XCG 0.8992
213 JPQ 0.8992
214 ILO 0.8991
215 FCW 0.8991
216 YIH 0.8990
217 5O5 0.8990
218 ZEA 0.8989
219 657 0.8989
220 F40 0.8987
221 KWB 0.8987
222 AZM 0.8986
223 ZON 0.8985
224 MP5 0.8984
225 F63 0.8983
226 LRW 0.8982
227 EMU 0.8981
228 YIP 0.8981
229 78U 0.8981
230 VJJ 0.8979
231 20D 0.8979
232 2FX 0.8979
233 MW5 0.8979
234 IAR 0.8979
235 DAR 0.8979
236 ING 0.8978
237 SB7 0.8976
238 HC4 0.8975
239 BSU 0.8974
240 A8K 0.8974
241 2QU 0.8970
242 5TZ 0.8970
243 PQT 0.8969
244 5C1 0.8968
245 6HO 0.8967
246 GB5 0.8966
247 D1G 0.8963
248 S0D 0.8963
249 LL1 0.8963
250 LL2 0.8962
251 1V3 0.8962
252 S1D 0.8961
253 OOG 0.8960
254 1V4 0.8958
255 8D6 0.8957
256 5RP 0.8956
257 5ER 0.8956
258 YE6 0.8954
259 RGP 0.8954
260 N9J 0.8954
261 3C5 0.8954
262 VFG 0.8953
263 JSX 0.8953
264 2JX 0.8952
265 CUH 0.8952
266 VBC 0.8951
267 3D8 0.8951
268 AOY 0.8949
269 LPA 0.8949
270 FCD 0.8948
271 3VS 0.8948
272 37E 0.8947
273 0SY 0.8945
274 S7G 0.8945
275 TZM 0.8943
276 3KJ 0.8943
277 UN3 0.8942
278 795 0.8941
279 QTV 0.8941
280 PNP 0.8940
281 YOF 0.8938
282 4AF 0.8938
283 TOH 0.8938
284 AZY 0.8938
285 0XR 0.8937
286 7MW 0.8937
287 27K 0.8937
288 DI9 0.8936
289 0OL 0.8935
290 P4L 0.8934
291 3EB 0.8934
292 HPX 0.8933
293 ZIQ 0.8931
294 DA2 0.8931
295 DCN 0.8929
296 5S9 0.8925
297 YTZ 0.8924
298 TSR 0.8923
299 E9P 0.8922
300 NIY 0.8921
301 LIG 0.8918
302 7EH 0.8918
303 4CN 0.8918
304 A73 0.8918
305 QJA 0.8916
306 HSA 0.8916
307 49P 0.8916
308 531 0.8915
309 ENW 0.8914
310 P2L 0.8913
311 FT6 0.8911
312 0MB 0.8911
313 4JK 0.8910
314 2L1 0.8908
315 0LO 0.8906
316 4MB 0.8906
317 2J3 0.8905
318 T03 0.8904
319 N2Y 0.8903
320 M6H 0.8901
321 5O6 0.8900
322 LEL 0.8897
323 3VX 0.8896
324 ZEZ 0.8896
325 IQQ 0.8896
326 1V1 0.8896
327 AHL 0.8895
328 NMM 0.8892
329 IAC 0.8892
330 WDW 0.8890
331 AAN 0.8888
332 HHV 0.8888
333 GZ2 0.8887
334 II4 0.8886
335 SNJ 0.8884
336 WVV 0.8884
337 4ZD 0.8883
338 AHC 0.8883
339 MMS 0.8882
340 WA1 0.8881
341 P81 0.8880
342 NFA 0.8880
343 SZA 0.8878
344 6N4 0.8878
345 E8U 0.8876
346 5DL 0.8876
347 RSV 0.8875
348 PPT 0.8874
349 AMR 0.8874
350 AHN 0.8873
351 UN1 0.8872
352 KDG 0.8872
353 272 0.8872
354 IPJ 0.8872
355 2UD 0.8872
356 Q4G 0.8871
357 C0H 0.8870
358 H75 0.8870
359 D26 0.8870
360 HPK 0.8869
361 TYC 0.8869
362 M3L 0.8869
363 PBN 0.8868
364 5WK 0.8867
365 GVA 0.8867
366 REG 0.8867
367 6SD 0.8867
368 GRQ 0.8866
369 6CL 0.8865
370 API 0.8865
371 ZE7 0.8864
372 PQM 0.8864
373 TX4 0.8862
374 YF3 0.8861
375 XRS 0.8861
376 PML 0.8859
377 SFY 0.8858
378 SSC 0.8858
379 S7D 0.8857
380 TJM 0.8857
381 CIR 0.8857
382 HWH 0.8855
383 9F8 0.8854
384 WT2 0.8854
385 PMV 0.8853
386 GG8 0.8853
387 FWD 0.8852
388 22T 0.8852
389 J9Y 0.8851
390 E9S 0.8849
391 4ZF 0.8848
392 QH3 0.8847
393 K48 0.8847
394 ZRK 0.8846
395 0NX 0.8846
396 4G2 0.8845
397 E4P 0.8845
398 2M7 0.8844
399 4TP 0.8843
400 1YO 0.8842
401 8U3 0.8842
402 1HR 0.8841
403 3QO 0.8841
404 S46 0.8841
405 DEZ 0.8840
406 EAT 0.8840
407 3NM 0.8840
408 613 0.8839
409 GB4 0.8838
410 TYE 0.8838
411 SZ7 0.8838
412 MUK 0.8838
413 MGB 0.8838
414 VFM 0.8838
415 X48 0.8837
416 VGS 0.8837
417 LTT 0.8837
418 S8G 0.8835
419 8CV 0.8835
420 LGT 0.8834
421 KAP 0.8834
422 U13 0.8833
423 F18 0.8832
424 RA7 0.8832
425 SWX 0.8831
426 S0W 0.8830
427 2O8 0.8830
428 JCQ 0.8828
429 8OB 0.8827
430 LHY 0.8826
431 90G 0.8826
432 AJ1 0.8826
433 28A 0.8825
434 LO1 0.8825
435 Q04 0.8825
436 BP7 0.8824
437 VUR 0.8824
438 25F 0.8823
439 JVD 0.8822
440 3VR 0.8822
441 BB4 0.8821
442 5NN 0.8821
443 DTY 0.8821
444 DMA 0.8820
445 YE7 0.8820
446 BQ2 0.8820
447 MD6 0.8819
448 E3X 0.8819
449 AUV 0.8818
450 J1K 0.8818
451 5DS 0.8818
452 DXK 0.8818
453 AJG 0.8817
454 IYR 0.8817
455 SJR 0.8816
456 PFF 0.8816
457 6QT 0.8815
458 PLP 0.8815
459 2PV 0.8815
460 NQ7 0.8814
461 HF2 0.8812
462 KP2 0.8812
463 2QV 0.8812
464 HSX 0.8812
465 FZ0 0.8812
466 2PK 0.8811
467 3F4 0.8809
468 8OE 0.8809
469 GO2 0.8808
470 M28 0.8805
471 RNK 0.8804
472 BBY 0.8804
473 CTE 0.8803
474 36M 0.8803
475 FZ3 0.8802
476 EGV 0.8801
477 M5H 0.8801
478 6P3 0.8800
479 VC3 0.8800
480 6ZX 0.8800
481 PLR 0.8800
482 GGG 0.8800
483 L03 0.8799
484 ASE 0.8798
485 CS2 0.8798
486 L5D 0.8798
487 CWD 0.8797
488 OA1 0.8797
489 EWG 0.8796
490 TCR 0.8795
491 WV7 0.8795
492 5P3 0.8794
493 D9Z 0.8794
494 9CE 0.8792
495 DX5 0.8792
496 9J6 0.8791
497 TB8 0.8790
498 U7E 0.8789
499 RQD 0.8789
500 4GU 0.8789
501 BWD 0.8788
502 F6R 0.8788
503 8XL 0.8788
504 MTL 0.8788
505 G6Q 0.8787
506 SZ5 0.8787
507 J38 0.8785
508 HWD 0.8785
509 NIF 0.8783
510 RGK 0.8781
511 4FE 0.8780
512 DDC 0.8780
513 6H2 0.8779
514 OLU 0.8779
515 60L 0.8778
516 F06 0.8778
517 4EU 0.8777
518 0OP 0.8776
519 96Z 0.8776
520 JVB 0.8775
521 JAH 0.8775
522 AX5 0.8775
523 MES 0.8775
524 5KJ 0.8774
525 S0A 0.8773
526 E0O 0.8772
527 RVE 0.8772
528 F90 0.8771
529 8EU 0.8770
530 ENV 0.8769
531 MMJ 0.8768
532 8YH 0.8768
533 4NR 0.8767
534 2MR 0.8766
535 3L1 0.8766
536 5OO 0.8765
537 TCL 0.8765
538 Q0K 0.8764
539 CFA 0.8764
540 1Q4 0.8763
541 MF3 0.8762
542 IWD 0.8761
543 S7V 0.8761
544 LR8 0.8759
545 TCC 0.8758
546 1A5 0.8758
547 D3G 0.8757
548 DXP 0.8757
549 O45 0.8757
550 N7I 0.8756
551 Q06 0.8756
552 SB9 0.8756
553 RF2 0.8755
554 492 0.8755
555 1EB 0.8755
556 GK8 0.8754
557 AVX 0.8754
558 NKI 0.8754
559 52F 0.8754
560 SSY 0.8753
561 IQW 0.8753
562 FF2 0.8752
563 2NP 0.8752
564 9NB 0.8752
565 D8Q 0.8751
566 F52 0.8751
567 SVG 0.8751
568 FC2 0.8750
569 7G0 0.8750
570 X6W 0.8750
571 N91 0.8749
572 C9M 0.8748
573 4BF 0.8747
574 5AD 0.8747
575 1CM 0.8746
576 RE4 0.8743
577 S2C 0.8742
578 3TC 0.8740
579 GXG 0.8740
580 TEG 0.8739
581 LXP 0.8738
582 N18 0.8737
583 ATX 0.8737
584 TZP 0.8737
585 5R9 0.8737
586 P80 0.8736
587 KF5 0.8735
588 9FH 0.8734
589 MVH 0.8734
590 GLY GLY GLY 0.8734
591 AWE 0.8732
592 ISC 0.8730
593 ZIP 0.8729
594 64Z 0.8729
595 3G3 0.8728
596 3H2 0.8728
597 WLH 0.8727
598 7G2 0.8724
599 VFJ 0.8724
600 3GX 0.8724
601 G30 0.8724
602 92G 0.8723
603 GWM 0.8723
604 1VK 0.8721
605 BC3 0.8721
606 M74 0.8721
607 FYR 0.8720
608 U14 0.8719
609 MQS 0.8718
610 Q5M 0.8718
611 1OS 0.8717
612 5TT 0.8717
613 4MP 0.8717
614 SCE 0.8716
615 PRL 0.8716
616 AGP 0.8715
617 GJK 0.8715
618 EPE 0.8714
619 IPE 0.8713
620 NOT 0.8713
621 HNM 0.8713
622 U4J 0.8711
623 38E 0.8711
624 6FB 0.8710
625 GXD 0.8710
626 9VZ 0.8708
627 4CF 0.8708
628 80G 0.8708
629 0F3 0.8707
630 LI7 0.8707
631 14W 0.8706
632 P1J 0.8705
633 GVY 0.8704
634 XIF XYP 0.8704
635 C6Z 0.8703
636 UA5 0.8703
637 WA2 0.8703
638 4FC 0.8702
639 QBP 0.8699
640 ZYC 0.8698
641 F98 0.8697
642 9UL 0.8696
643 9X3 0.8694
644 1ZC 0.8694
645 P4F 0.8693
646 L02 0.8693
647 A5P 0.8692
648 397 0.8692
649 KNA 0.8692
650 DKA 0.8692
651 GT4 0.8689
652 1KN 0.8689
653 RPN 0.8688
654 A98 0.8684
655 LJ5 0.8683
656 M78 0.8682
657 ALY 0.8682
658 4KJ 0.8681
659 BZS 0.8681
660 CMG 0.8677
661 ARP 0.8676
662 PUW 0.8675
663 CHQ 0.8674
664 S45 0.8674
665 4I8 0.8674
666 N4E 0.8674
667 ISA 0.8674
668 PAU 0.8673
669 92O 0.8672
670 BGT 0.8672
671 LJ4 0.8672
672 6WR 0.8671
673 PHI 0.8671
674 GO8 0.8671
675 A9E 0.8671
676 3XH 0.8669
677 4WF 0.8668
678 KWV 0.8665
679 A05 0.8664
680 CXH 0.8663
681 OCA 0.8662
682 M3W 0.8660
683 3AK 0.8660
684 PHE 0.8659
685 NFM 0.8659
686 CK2 0.8658
687 6DH 0.8657
688 0OK 0.8657
689 B1J 0.8656
690 DPN 0.8655
691 YI6 0.8654
692 S6P 0.8654
693 PYU 0.8653
694 28B 0.8652
695 PPY 0.8652
696 5ZM 0.8649
697 PA5 0.8649
698 FMQ 0.8646
699 Y4L 0.8646
700 JA3 0.8645
701 4XF 0.8642
702 PH3 0.8642
703 AX4 0.8642
704 KMY 0.8641
705 1L5 0.8641
706 NNH 0.8641
707 E9L 0.8641
708 TID 0.8640
709 HCI 0.8637
710 4DI 0.8635
711 G6P 0.8634
712 F4K 0.8634
713 I58 0.8633
714 108 0.8632
715 94X 0.8630
716 DTB 0.8629
717 5OY 0.8629
718 ALE 0.8629
719 CX4 0.8628
720 OHJ 0.8627
721 DIH 0.8627
722 JXQ 0.8627
723 PO6 0.8626
724 GZV 0.8626
725 CDJ 0.8626
726 9XZ 0.8622
727 IPO 0.8620
728 K0G 0.8618
729 MQR 0.8616
730 20N 0.8616
731 LJ1 0.8614
732 A5E 0.8614
733 1SF 0.8611
734 PBA 0.8610
735 CX6 0.8609
736 BGK 0.8609
737 TIA 0.8604
738 7PJ 0.8603
739 W1G 0.8602
740 DER 0.8601
741 SNR 0.8600
742 ET0 0.8599
743 DDU 0.8599
744 XYP XIF 0.8599
745 NRG 0.8598
746 MUX 0.8598
747 X2M 0.8597
748 CWP 0.8591
749 39Z 0.8589
750 NWD 0.8587
751 7FZ 0.8586
752 PMM 0.8586
753 AP6 0.8585
754 ZTW 0.8584
755 S62 0.8580
756 PTR 0.8579
757 6KT 0.8578
758 CLU 0.8578
759 50C 0.8577
760 HJ1 0.8577
761 DP4 0.8576
762 7FU 0.8575
763 ZHA 0.8575
764 BG6 0.8575
765 PAN 0.8575
766 HJ7 0.8570
767 IPR 0.8568
768 UAY 0.8567
769 69K 0.8566
770 YZ9 0.8564
771 IBP 0.8562
772 L15 0.8561
773 HL6 0.8558
774 Q8G 0.8556
775 ZRL 0.8554
776 7OD 0.8552
777 VT3 0.8550
778 QUB 0.8550
779 TCA 0.8549
780 1OT 0.8548
781 6FZ 0.8544
782 CIY 0.8543
783 MR5 0.8542
784 5NR 0.8540
785 14N 0.8536
786 ESJ 0.8535
787 A63 0.8532
788 TIH 0.8530
789 HNT 0.8528
790 A6Z 0.8528
791 W23 0.8528
792 SLY 0.8527
793 ABF 0.8527
794 7R4 0.8521
795 3JC 0.8520
796 QTD 0.8517
797 1FL 0.8513
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
APoc FAQ
Feedback