Receptor
PDB id Resolution Class Description Source Keywords
5MXK 1.93 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TRANSCRIPTIONAL REGU REPRESSOR PROTEIN (ETHR) IN COMPLEX WITH FRAGMENT 7G9. MYCOBACTERIUM TUBERCULOSIS H37RV ETHR REPRESSOR TETR MYCOBACTERIUM TUBERCULOSIS TRANSCRIP
Ref.: FRAGMENT SCREENING AGAINST THE ETHR-DNA INTERACTION NATIVE MASS SPECTROMETRY. ANGEW. CHEM. INT. ED. ENGL. V. 56 7488 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:303;
A:302;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
ZHA A:301;
 Valid;
 none;
 ic50 = 150 uM
203.237 C12 H13 N O2 CC(=O...
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: ZHA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZHA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ZHA; Similar ligands found: 637
No: Ligand Similarity coefficient
1 3VX 0.9686
2 5WT 0.9572
3 MD6 0.9566
4 ITE 0.9565
5 QIV 0.9561
6 N91 0.9536
7 2FX 0.9498
8 FER 0.9491
9 X0U 0.9490
10 XCG 0.9487
11 HRM 0.9481
12 GO2 0.9468
13 GO8 0.9462
14 0SY 0.9449
15 ZRK 0.9432
16 KLV 0.9414
17 MUX 0.9405
18 TMG 0.9392
19 2K8 0.9391
20 6FB 0.9391
21 Y3L 0.9366
22 ZYQ 0.9359
23 V1T 0.9356
24 FF2 0.9344
25 S0D 0.9342
26 HHS 0.9322
27 0FK 0.9322
28 IOP 0.9320
29 KLS 0.9318
30 PRL 0.9308
31 2WU 0.9308
32 0JD 0.9307
33 M78 0.9293
34 4BX 0.9276
35 H4B 0.9268
36 DHC 0.9262
37 S98 0.9261
38 G14 0.9251
39 BGU 0.9243
40 JP2 0.9240
41 GOE 0.9238
42 15N 0.9236
43 ZRL 0.9233
44 N2M 0.9232
45 3VS 0.9230
46 1FE 0.9225
47 8NB 0.9217
48 CHQ 0.9215
49 5TY 0.9215
50 HBO 0.9215
51 YE7 0.9214
52 B21 0.9213
53 ZSP 0.9212
54 GJK 0.9201
55 K7H 0.9200
56 KMY 0.9198
57 VC3 0.9198
58 3VQ 0.9197
59 S60 0.9197
60 6QF 0.9196
61 YE6 0.9195
62 ONZ 0.9194
63 2JK 0.9194
64 5V7 0.9191
65 PLP 0.9188
66 TCR 0.9183
67 I2E 0.9178
68 4FE 0.9172
69 GNM 0.9171
70 ANC 0.9170
71 THA 0.9168
72 BZJ 0.9166
73 BHS 0.9161
74 FHV 0.9158
75 CIY 0.9156
76 LR8 0.9155
77 F5C 0.9155
78 X48 0.9151
79 8HC 0.9149
80 OLU 0.9146
81 4CN 0.9143
82 3D3 0.9142
83 4FF 0.9141
84 6P3 0.9139
85 A7H 0.9138
86 LUM 0.9136
87 BP7 0.9133
88 BIO 0.9128
89 2GQ 0.9128
90 657 0.9126
91 LOT 0.9124
92 E1T 0.9124
93 UFO 0.9120
94 9BF 0.9118
95 NEU 0.9114
96 PH2 0.9113
97 G6P 0.9112
98 BG6 0.9112
99 68A 0.9112
100 9R5 0.9111
101 0FR 0.9109
102 CXH 0.9106
103 4BY 0.9100
104 DRG 0.9100
105 JCZ 0.9099
106 SG2 0.9097
107 9NB 0.9096
108 0OK 0.9095
109 4AU 0.9094
110 6N4 0.9094
111 IL5 0.9089
112 22T 0.9087
113 6TJ 0.9085
114 TRP 0.9083
115 5E5 0.9083
116 A5Q 0.9080
117 FQX 0.9078
118 4R1 0.9077
119 363 0.9075
120 AJ1 0.9075
121 BZE 0.9072
122 9ZE 0.9070
123 7AP 0.9069
124 BQ2 0.9068
125 F02 0.9068
126 RSV 0.9067
127 JAH 0.9066
128 HBI 0.9065
129 ALE 0.9063
130 N7I 0.9062
131 9JT 0.9060
132 APS 0.9059
133 ODK 0.9057
134 YIP 0.9056
135 3Y7 0.9056
136 N2I 0.9055
137 ARP 0.9054
138 H35 0.9053
139 CNI 0.9053
140 6MW 0.9052
141 A6W 0.9051
142 AMR 0.9051
143 6KT 0.9049
144 1QV 0.9047
145 BDI 0.9046
146 PMP 0.9046
147 J6W 0.9046
148 A5H 0.9045
149 DK1 0.9044
150 LL1 0.9043
151 4AB 0.9042
152 78Y 0.9042
153 5WS 0.9041
154 H2B 0.9041
155 E7S 0.9041
156 26C 0.9036
157 RKV 0.9033
158 2D2 0.9032
159 PUE 0.9031
160 AN3 0.9031
161 4NP 0.9027
162 3D8 0.9026
163 PIQ 0.9026
164 MFZ 0.9026
165 AJG 0.9025
166 2J1 0.9024
167 PQM 0.9024
168 ZIP 0.9023
169 7EH 0.9023
170 C9M 0.9023
171 JMG 0.9021
172 92P 0.9021
173 ZZA 0.9020
174 4MB 0.9016
175 4I8 0.9015
176 ZEA 0.9014
177 KYA 0.9014
178 ESX 0.9013
179 VM1 0.9013
180 J38 0.9012
181 1F1 0.9010
182 DNQ 0.9008
183 5GT 0.9008
184 54X 0.9008
185 E3X 0.9007
186 55D 0.9007
187 9UL 0.9007
188 NEO 0.9006
189 5NN 0.9006
190 3ZB 0.9005
191 2P3 0.9004
192 PNP 0.9004
193 HNT 0.9003
194 BPY 0.9003
195 SKF 0.9003
196 MR6 0.9002
197 8XL 0.9002
198 GZ2 0.9001
199 DAH 0.9000
200 5VU 0.8999
201 UAY 0.8997
202 7L4 0.8995
203 HC4 0.8994
204 SNO 0.8994
205 8D6 0.8994
206 MR4 0.8993
207 ESI 0.8993
208 R9Y 0.8991
209 6ZW 0.8990
210 KTW 0.8989
211 F40 0.8988
212 IBP 0.8987
213 DXK 0.8987
214 TXW 0.8986
215 5GV 0.8986
216 P80 0.8986
217 47V 0.8983
218 C53 0.8982
219 0DF 0.8981
220 X0T 0.8979
221 8MP 0.8978
222 FCD 0.8976
223 NRA 0.8976
224 1QP 0.8976
225 NAL 0.8975
226 2JX 0.8975
227 EAE 0.8975
228 IOS 0.8973
229 BZ2 0.8972
230 M6Z 0.8971
231 D9Z 0.8970
232 JF8 0.8968
233 B2E 0.8968
234 27K 0.8967
235 BA5 0.8967
236 Q0K 0.8967
237 1HN 0.8966
238 3J8 0.8965
239 KF5 0.8961
240 AES 0.8961
241 JBZ 0.8960
242 N8Y 0.8959
243 2UD 0.8959
244 0UL 0.8958
245 4RU 0.8957
246 PZP 0.8954
247 PLP PMP 0.8954
248 8ZE 0.8954
249 LZ5 0.8953
250 6Q3 0.8952
251 IAC 0.8951
252 1A7 0.8951
253 2QC 0.8950
254 MXD 0.8950
255 DNA 0.8947
256 4BL 0.8946
257 GJP 0.8945
258 ICB 0.8944
259 833 0.8943
260 F2W 0.8943
261 EV2 0.8941
262 92O 0.8939
263 3R4 0.8939
264 12T 0.8939
265 A7N 0.8939
266 27B 0.8938
267 1OT 0.8937
268 M4E 0.8936
269 GNV 0.8935
270 3SU 0.8934
271 344 0.8934
272 5B2 0.8934
273 4ZF 0.8932
274 K97 0.8930
275 ESP 0.8930
276 GLP 0.8928
277 ANF 0.8928
278 N0Z 0.8928
279 KDV 0.8926
280 2PK 0.8926
281 3XH 0.8925
282 AP6 0.8924
283 EE8 0.8922
284 C4E 0.8922
285 ZEC 0.8921
286 FBC 0.8918
287 5SJ 0.8915
288 UNJ 0.8915
289 W81 0.8914
290 JF1 0.8914
291 428 0.8913
292 GZV 0.8912
293 YZ9 0.8912
294 1VK 0.8912
295 VXX 0.8912
296 A5P 0.8911
297 EN1 0.8911
298 7FU 0.8909
299 HRD 0.8909
300 FYR 0.8907
301 AA 0.8906
302 4F8 0.8905
303 AC2 0.8904
304 CX6 0.8903
305 SLS 0.8903
306 1DR 0.8902
307 AVX 0.8901
308 NIY 0.8900
309 245 0.8898
310 CTE 0.8897
311 DT7 0.8897
312 3GX 0.8897
313 8W9 0.8896
314 RNO 0.8896
315 4LW 0.8896
316 SWX 0.8895
317 PPY 0.8895
318 S0E 0.8893
319 P4L 0.8893
320 QBP 0.8893
321 7PJ 0.8892
322 20D 0.8888
323 X0W 0.8887
324 8G6 0.8886
325 1V1 0.8885
326 LR2 0.8883
327 1BW 0.8883
328 5LA 0.8881
329 AZM 0.8881
330 TJM 0.8881
331 9KZ 0.8880
332 TID 0.8880
333 FZM 0.8880
334 2QU 0.8880
335 A73 0.8880
336 D8Q 0.8877
337 2PV 0.8877
338 L22 0.8876
339 U13 0.8876
340 DFL 0.8876
341 52F 0.8874
342 0HN 0.8873
343 4HB 0.8872
344 1AJ 0.8871
345 JTA 0.8870
346 1XS 0.8869
347 EQA 0.8868
348 QME 0.8868
349 DX2 0.8866
350 NFZ 0.8866
351 3JC 0.8866
352 15E 0.8865
353 3XR 0.8864
354 E1K 0.8864
355 F18 0.8863
356 0XR 0.8863
357 LFN 0.8862
358 JG8 0.8861
359 NAG 0.8861
360 H75 0.8861
361 AH9 0.8861
362 RVE 0.8859
363 K25 0.8859
364 1V3 0.8859
365 EUE 0.8859
366 MR5 0.8858
367 0NJ 0.8857
368 SXX 0.8855
369 FC2 0.8855
370 397 0.8854
371 DX7 0.8853
372 Q9T 0.8852
373 3N0 0.8849
374 57D 0.8849
375 P81 0.8846
376 N1E 0.8845
377 8NX 0.8844
378 GHM 0.8843
379 3W6 0.8843
380 3W3 0.8843
381 NDD 0.8842
382 4XF 0.8842
383 S7D 0.8842
384 GB4 0.8841
385 WLH 0.8840
386 0NX 0.8839
387 549 0.8839
388 KLE 0.8838
389 KLK 0.8837
390 YTX 0.8837
391 VUP 0.8835
392 A9B 0.8835
393 8CC 0.8834
394 4GU 0.8832
395 L3L 0.8830
396 ZME 0.8830
397 MUK 0.8827
398 WV7 0.8826
399 1ZC 0.8825
400 BGP 0.8824
401 H5B 0.8824
402 ENO 0.8823
403 PQT 0.8821
404 6DQ 0.8821
405 8WT 0.8821
406 VFG 0.8820
407 WA1 0.8818
408 3QV 0.8818
409 TOH 0.8815
410 5TT 0.8814
411 X11 0.8813
412 72D 0.8812
413 5XL 0.8812
414 7O4 0.8812
415 AOY 0.8809
416 Q5M 0.8808
417 B1J 0.8808
418 795 0.8807
419 EVF 0.8806
420 JGB 0.8805
421 8Y7 0.8803
422 SJK 0.8803
423 61M 0.8803
424 WUB 0.8803
425 39Z 0.8799
426 1FL 0.8798
427 0W1 0.8798
428 F4E 0.8798
429 RGK 0.8797
430 372 0.8796
431 C9E 0.8796
432 C2Y 0.8795
433 NKI 0.8794
434 QR2 0.8794
435 GB5 0.8793
436 6FZ 0.8793
437 SZ5 0.8792
438 4G2 0.8792
439 3F4 0.8792
440 RA7 0.8792
441 OQC 0.8791
442 3WL 0.8791
443 EYV 0.8787
444 4NS 0.8786
445 EES 0.8786
446 LJ3 0.8780
447 5WN 0.8780
448 NDG 0.8779
449 PLR 0.8779
450 4JE 0.8778
451 5ER 0.8778
452 5OO 0.8778
453 RYV 0.8778
454 Z21 0.8776
455 94W 0.8774
456 4V2 0.8774
457 HFT 0.8773
458 25F 0.8772
459 CG 0.8771
460 9CE 0.8770
461 BPU 0.8769
462 GF4 0.8769
463 M4N 0.8768
464 E6Q 0.8768
465 6SD 0.8766
466 WS6 0.8765
467 9FL 0.8764
468 GVY 0.8763
469 DPT 0.8762
470 F4K 0.8761
471 5TZ 0.8760
472 LO1 0.8757
473 C0W 0.8757
474 0F3 0.8756
475 TCA 0.8756
476 2QV 0.8755
477 5F5 0.8753
478 6H2 0.8753
479 H7Y 0.8753
480 GDL 0.8752
481 AEH 0.8750
482 6HP 0.8750
483 3AE 0.8749
484 7MW 0.8749
485 6L6 0.8748
486 EXD 0.8747
487 2HC 0.8746
488 8M5 0.8742
489 HX4 0.8740
490 DTR 0.8735
491 96Z 0.8734
492 JA5 0.8734
493 BL0 0.8733
494 IDZ 0.8732
495 PNZ 0.8732
496 IQZ 0.8731
497 LDP 0.8731
498 M3F 0.8730
499 TYR 0.8730
500 RCV 0.8729
501 4NB 0.8729
502 CK2 0.8728
503 92G 0.8727
504 A5E 0.8725
505 4Z9 0.8719
506 X2M 0.8709
507 9CA 0.8709
508 1EB 0.8707
509 M3W 0.8705
510 LQ2 0.8705
511 K3D 0.8705
512 NE2 0.8705
513 HH6 0.8704
514 CDJ 0.8703
515 18E 0.8702
516 LIG 0.8702
517 S8G 0.8701
518 H4E 0.8700
519 5H6 0.8698
520 IS2 0.8697
521 IYR 0.8696
522 A6P 0.8696
523 RDT 0.8696
524 MPV 0.8695
525 TIA 0.8694
526 I3E 0.8693
527 AGI 0.8693
528 1IT 0.8692
529 JRO 0.8692
530 1V4 0.8691
531 MBP 0.8690
532 K68 0.8690
533 QBM 0.8689
534 B0K 0.8687
535 S0A 0.8686
536 3W8 0.8686
537 PXP 0.8683
538 4CM 0.8683
539 9OF 0.8682
540 A51 0.8680
541 X04 0.8680
542 8YH 0.8679
543 II4 0.8678
544 GNY 0.8676
545 BIK 0.8673
546 5RP 0.8672
547 WG8 0.8670
548 5P3 0.8667
549 BX4 0.8667
550 K4V 0.8666
551 KYN 0.8666
552 J1K 0.8659
553 78U 0.8657
554 9FH 0.8656
555 8V8 0.8656
556 K82 0.8656
557 ZYX 0.8656
558 V2Z 0.8654
559 NU3 0.8654
560 IDD 0.8653
561 D2G 0.8653
562 STV 0.8650
563 OCZ 0.8650
564 P7Y 0.8649
565 CFA 0.8647
566 1PS 0.8647
567 CDY 0.8646
568 5OR 0.8644
569 2LY 0.8644
570 80G 0.8642
571 38E 0.8641
572 K3Q 0.8641
573 FBF 0.8636
574 CPZ 0.8635
575 GEN 0.8633
576 CC5 0.8632
577 CBE 0.8631
578 ZTW 0.8629
579 IIH 0.8627
580 NYJ 0.8625
581 36M 0.8624
582 62D 0.8622
583 R4E 0.8622
584 VT3 0.8619
585 BVA 0.8619
586 FWD 0.8615
587 PTS 0.8614
588 UQ1 0.8611
589 6BK 0.8610
590 6RQ 0.8610
591 MSR 0.8609
592 SNY 0.8608
593 GC2 0.8608
594 LR5 0.8608
595 1G9 0.8602
596 CKU 0.8602
597 1HP 0.8599
598 OA4 0.8598
599 TR4 0.8597
600 H2W 0.8596
601 ET0 0.8595
602 AM4 0.8595
603 4NZ 0.8595
604 DT9 0.8595
605 XDK 0.8594
606 CWJ 0.8592
607 W8L 0.8592
608 122 0.8589
609 4TU 0.8588
610 GI3 0.8587
611 GVI 0.8585
612 MJW 0.8582
613 NAR 0.8577
614 6C5 0.8575
615 B4O 0.8574
616 259 0.8570
617 7FZ 0.8568
618 E9L 0.8568
619 A63 0.8564
620 LVD 0.8558
621 E9S 0.8555
622 TXQ 0.8552
623 36Y 0.8547
624 6C4 0.8546
625 MKN 0.8545
626 BMZ 0.8544
627 78P 0.8544
628 SNU 0.8537
629 HA6 0.8535
630 S7J 0.8533
631 M9N 0.8531
632 ALR 0.8526
633 P4T 0.8524
634 HCI 0.8522
635 120 0.8518
636 1KP 0.8512
637 DDU 0.8506
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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