Receptor
PDB id Resolution Class Description Source Keywords
6ho7 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOS COMPLEX WITH BDM44814 MYCOBACTERIUM TUBERCULOSIS CDC1551 HELIX-TURN-HELIX DNA BINDING PROTEIN TETR-FAMILY COMPLEXINHIBITOR DRUG DESIGN TUBERCULOSIS ETHIONAMIDE
Ref.: A COMPREHENSIVE ANALYSIS OF THE PROTEIN-LIGAND INTE IN CRYSTAL STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS BIOCHIM BIOPHYS ACTA V.1867 248 2018 PROTEINS PROTEOM
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GHQ A:301;
 Valid;
 none;
 submit data
217.188 C10 H10 F3 N O c1ccc...
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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: GHQ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GHQ 1 1
2 GJE 0.519231 0.710526
3 2B2 0.473684 0.642857
4 GJ5 0.409091 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: GHQ; Similar ligands found: 348
No: Ligand Similarity coefficient
1 BSA 0.9840
2 0QA 0.9484
3 6C9 0.9364
4 6C8 0.9363
5 XI7 0.9316
6 RDV 0.9315
7 D53 0.9313
8 EYY 0.9295
9 IJ6 0.9283
10 6C5 0.9278
11 I2E 0.9264
12 JGY 0.9260
13 5TO 0.9256
14 D25 0.9241
15 KYN 0.9239
16 STV 0.9229
17 TRP 0.9220
18 5WN 0.9205
19 EYJ 0.9205
20 NAL 0.9197
21 SX2 0.9183
22 MKN 0.9178
23 HLP 0.9171
24 11X 0.9166
25 GG8 0.9161
26 KPV 0.9154
27 D26 0.9152
28 D1G 0.9150
29 52F 0.9141
30 8YH 0.9126
31 NFZ 0.9121
32 HPX 0.9118
33 3CX 0.9113
34 HSA 0.9111
35 BZM 0.9109
36 PZX 0.9106
37 4BX 0.9106
38 SYE 0.9104
39 6FG 0.9104
40 OJD 0.9097
41 68B 0.9095
42 1PS 0.9095
43 0ON 0.9092
44 3D3 0.9078
45 HPZ 0.9077
46 N9M 0.9071
47 4AU 0.9070
48 P93 0.9066
49 S8P 0.9051
50 S0A 0.9046
51 IJ4 0.9043
52 MFY 0.9040
53 P1J 0.9033
54 4Z0 0.9031
55 DTR 0.9030
56 9BF 0.9028
57 8EU 0.9028
58 27K 0.9022
59 3EB 0.9015
60 6FR 0.9011
61 1HR 0.9010
62 5PV 0.9009
63 WA1 0.9006
64 HPK 0.8994
65 NK5 0.8991
66 3IB 0.8990
67 RES 0.8989
68 JF5 0.8983
69 FZ3 0.8981
70 A5Q 0.8979
71 6C4 0.8976
72 CT0 0.8976
73 0OM 0.8974
74 BVS 0.8973
75 DG6 0.8968
76 PMM 0.8964
77 JKK 0.8960
78 IOP 0.8958
79 ITW 0.8958
80 0V7 0.8954
81 M3L 0.8953
82 D2G 0.8951
83 MGB 0.8944
84 PAU 0.8939
85 TPM 0.8936
86 1EB 0.8935
87 IJ1 0.8934
88 HL6 0.8929
89 8CC 0.8928
90 H35 0.8926
91 C1E 0.8926
92 0UL 0.8923
93 0V8 0.8922
94 2OX 0.8919
95 PTB 0.8918
96 XRS 0.8916
97 BSU 0.8916
98 ZIP 0.8911
99 PLP 0.8911
100 HAR 0.8905
101 S7D 0.8904
102 EUH 0.8901
103 5EZ 0.8899
104 9JT 0.8899
105 1AJ 0.8899
106 SB7 0.8892
107 C4E 0.8891
108 8V8 0.8889
109 EGV 0.8888
110 OLU 0.8887
111 FER 0.8886
112 LR2 0.8886
113 PNP 0.8879
114 FZ0 0.8876
115 C0V 0.8874
116 7PJ 0.8873
117 REG 0.8872
118 ZE7 0.8871
119 EXG 0.8871
120 LTN 0.8870
121 L1T 0.8870
122 0MB 0.8867
123 J4K 0.8863
124 FHV 0.8863
125 72D 0.8863
126 HA6 0.8860
127 7EH 0.8859
128 PUE 0.8859
129 N18 0.8858
130 UN3 0.8854
131 1FE 0.8854
132 5O5 0.8853
133 4Z9 0.8853
134 YIH 0.8853
135 S2C 0.8852
136 LPA 0.8849
137 6N4 0.8848
138 3KJ 0.8846
139 22T 0.8843
140 DI9 0.8837
141 PHQ ALA 0.8837
142 EV2 0.8834
143 4AF 0.8831
144 D4G 0.8827
145 GGG 0.8825
146 DHC 0.8825
147 2JX 0.8823
148 U55 0.8822
149 D9Z 0.8820
150 BL0 0.8819
151 BX4 0.8818
152 S7G 0.8818
153 HH6 0.8817
154 2GQ 0.8816
155 2L1 0.8816
156 PIQ 0.8814
157 7KE 0.8813
158 8Y7 0.8812
159 T03 0.8811
160 FTK 0.8810
161 S0B 0.8807
162 S0D 0.8807
163 M4N 0.8806
164 58X 0.8806
165 KLS 0.8805
166 657 0.8804
167 JCZ 0.8801
168 PPN 0.8800
169 6DQ 0.8799
170 4CN 0.8797
171 CBE 0.8796
172 3VQ 0.8796
173 AZY 0.8796
174 YE6 0.8796
175 HRG 0.8795
176 TEF 0.8794
177 E9S 0.8792
178 RSV 0.8791
179 DED 0.8789
180 3S9 0.8787
181 FCW 0.8786
182 47V 0.8786
183 2P3 0.8784
184 MD6 0.8782
185 0K7 0.8782
186 G30 0.8781
187 7N8 0.8781
188 5ER 0.8777
189 GGB 0.8777
190 EPE 0.8776
191 DA2 0.8773
192 ZEA 0.8770
193 6PG 0.8770
194 5E5 0.8769
195 VGS 0.8768
196 PMV 0.8766
197 KAP 0.8764
198 B5A 0.8763
199 0XR 0.8762
200 HDI 0.8761
201 R52 0.8761
202 EZL 0.8760
203 JMG 0.8760
204 ASE 0.8760
205 WA2 0.8759
206 JOT 0.8758
207 5LD 0.8758
208 9VQ 0.8756
209 39R 0.8754
210 363 0.8754
211 B41 0.8753
212 4KJ 0.8752
213 4ZF 0.8752
214 A9B 0.8749
215 AGP 0.8744
216 M28 0.8743
217 PLR 0.8743
218 BFL 0.8740
219 8BD 0.8740
220 LZ5 0.8739
221 P7V 0.8737
222 78U 0.8736
223 R10 0.8736
224 2J3 0.8736
225 HWH 0.8735
226 GOE 0.8732
227 1Q1 0.8732
228 SJR 0.8731
229 NIY 0.8726
230 3IP 0.8723
231 KWV 0.8721
232 JVD 0.8719
233 YIP 0.8717
234 108 0.8716
235 0A1 0.8715
236 5O6 0.8713
237 WCU 0.8713
238 613 0.8711
239 1Q2 0.8711
240 G3M 0.8710
241 4NS 0.8709
242 5VU 0.8706
243 LXP 0.8705
244 L2K 0.8705
245 RPN 0.8703
246 MP5 0.8703
247 M5P 0.8702
248 BXS 0.8701
249 QH3 0.8699
250 FT6 0.8699
251 L12 0.8699
252 F6R 0.8697
253 0DF 0.8696
254 833 0.8696
255 KLE 0.8694
256 A6W 0.8694
257 531 0.8692
258 VJJ 0.8691
259 F91 0.8690
260 3IL 0.8690
261 GB5 0.8689
262 S62 0.8689
263 5WK 0.8688
264 6MW 0.8688
265 TX4 0.8685
266 1Q4 0.8682
267 37E 0.8682
268 SYD 0.8680
269 DIH 0.8679
270 EEK 0.8678
271 A51 0.8677
272 ZZA 0.8677
273 EAT 0.8674
274 DNN 0.8672
275 1HP 0.8670
276 SZ7 0.8669
277 SFY 0.8667
278 9JH 0.8665
279 ESJ 0.8665
280 RKY 0.8663
281 1OT 0.8663
282 2UD 0.8663
283 5B2 0.8662
284 QTD 0.8661
285 2FX 0.8660
286 A7Q 0.8660
287 LI7 0.8659
288 3XH 0.8659
289 G14 0.8657
290 N0H 0.8656
291 SNR 0.8655
292 3SU 0.8653
293 EMU 0.8652
294 PAN 0.8652
295 AOY 0.8648
296 L02 0.8648
297 D9Q 0.8648
298 VFM 0.8647
299 J1K 0.8647
300 RF2 0.8643
301 4NP 0.8642
302 I58 0.8641
303 G2V 0.8640
304 MUX 0.8639
305 D8Q 0.8639
306 D8I 0.8639
307 Q5M 0.8637
308 B15 0.8634
309 5RP 0.8629
310 KLV 0.8628
311 2L2 0.8627
312 5C1 0.8624
313 EVO 0.8624
314 QBP 0.8622
315 DX5 0.8620
316 5H6 0.8619
317 IPJ 0.8618
318 3VR 0.8616
319 AHL 0.8615
320 R5P 0.8615
321 DTB 0.8612
322 5SP 0.8609
323 YTZ 0.8606
324 4YZ 0.8600
325 0OP 0.8600
326 QIV 0.8598
327 QTK 0.8595
328 20N 0.8594
329 LG6 0.8592
330 35K 0.8590
331 HC4 0.8588
332 A18 0.8587
333 C0W 0.8582
334 ML1 0.8582
335 GB4 0.8580
336 PA5 0.8573
337 PML 0.8573
338 CWP 0.8572
339 XRX 0.8557
340 G8V 0.8557
341 Y3L 0.8548
342 8CV 0.8548
343 GK8 0.8539
344 SB9 0.8537
345 6H2 0.8531
346 08D 0.8527
347 L15 0.8518
348 3G3 0.8516
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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