Receptor
PDB id Resolution Class Description Source Keywords
5MYW 1.77 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND SB-43561 .77A RESOLUTION MYCOBACTERIUM TUBERCULOSIS H37RV ETHR MYCOBACTERIUM TUBERCULOSIS TRANSCRIPTION REPRESOR
Ref.: TARGET IDENTIFICATION OF MYCOBACTERIUM TUBERCULOSIS PHENOTYPIC HITS USING A CONCERTED CHEMOGENOMIC, BIO AND STRUCTURAL APPROACH. FRONT PHARMACOL V. 8 681 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
WCU A:301;
 Valid;
 none;
 submit data
228.247 C13 H12 N2 O2 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: WCU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 WCU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: WCU; Similar ligands found: 724
No: Ligand Similarity coefficient
1 7ZO 0.9686
2 A18 0.9508
3 TCC 0.9492
4 C4F 0.9479
5 2L1 0.9453
6 LR2 0.9413
7 9JT 0.9398
8 XIF XYP 0.9393
9 0OO 0.9392
10 27M 0.9391
11 5S9 0.9378
12 CBE 0.9373
13 L5D 0.9368
14 LR8 0.9364
15 68B 0.9354
16 GJG 0.9349
17 TCL 0.9342
18 0UL 0.9342
19 5B2 0.9341
20 11X 0.9340
21 NAL 0.9339
22 LVP 0.9337
23 WVV 0.9336
24 536 0.9335
25 L2K 0.9331
26 6P3 0.9320
27 SOJ 0.9320
28 848 0.9319
29 1ZC 0.9317
30 PQS 0.9314
31 EMU 0.9313
32 AUV 0.9303
33 2L2 0.9300
34 EAT 0.9299
35 XI7 0.9298
36 P2L 0.9286
37 DBE 0.9282
38 7EH 0.9280
39 47V 0.9279
40 XYP XYP 0.9277
41 6H2 0.9276
42 XDL XYP 0.9276
43 XIL 0.9276
44 MW5 0.9273
45 B5A 0.9272
46 0OK 0.9272
47 7L4 0.9271
48 3IP 0.9270
49 KW7 0.9263
50 PFT 0.9257
51 6T5 0.9254
52 EXG 0.9253
53 7FZ 0.9252
54 LVY 0.9252
55 8OB 0.9248
56 FYR 0.9247
57 ERZ 0.9245
58 TRP 0.9244
59 OJD 0.9241
60 JVD 0.9238
61 1A5 0.9231
62 TI7 0.9229
63 XYP XIF 0.9224
64 ZMG 0.9222
65 HLP 0.9221
66 4EU 0.9221
67 0QV 0.9221
68 RK4 0.9220
69 0ON 0.9219
70 EQW 0.9217
71 FCW 0.9210
72 NQ7 0.9209
73 5R9 0.9204
74 N2Y 0.9200
75 PQM 0.9199
76 14N 0.9198
77 GNW 0.9195
78 XYP XDN 0.9195
79 2QU 0.9193
80 LJ4 0.9189
81 JSX 0.9187
82 26C 0.9185
83 0DF 0.9185
84 6C5 0.9185
85 GJB 0.9182
86 A6H 0.9181
87 XDN XYP 0.9176
88 P4T 0.9174
89 RE4 0.9174
90 CX5 0.9173
91 XYS AZI XYS 0.9173
92 KLS 0.9167
93 VJJ 0.9166
94 U13 0.9162
95 PZX 0.9161
96 0OM 0.9161
97 XYP XYS 0.9160
98 QME 0.9154
99 JE7 0.9154
100 8OE 0.9153
101 1FL 0.9152
102 WA1 0.9152
103 2P3 0.9146
104 4MP 0.9143
105 XYS XYS 0.9141
106 YE6 0.9141
107 MJW 0.9141
108 BZM 0.9139
109 AJ4 0.9137
110 1HP 0.9136
111 AVX 0.9133
112 TPM 0.9133
113 AOY 0.9132
114 8D6 0.9131
115 TCT 0.9127
116 LZ5 0.9124
117 C0H 0.9124
118 5WK 0.9124
119 JF5 0.9121
120 5F4 0.9120
121 FBC 0.9119
122 531 0.9119
123 AYS 0.9118
124 LJ1 0.9117
125 KLE 0.9113
126 BGK 0.9112
127 83D 0.9112
128 96Z 0.9112
129 38E 0.9111
130 OLU 0.9107
131 6QT 0.9105
132 NIY 0.9105
133 S0D 0.9105
134 28A 0.9105
135 EF2 0.9105
136 7WD 0.9105
137 H35 0.9104
138 HA6 0.9103
139 ADN 0.9103
140 JMG 0.9103
141 MQS 0.9103
142 9JH 0.9102
143 0X2 0.9100
144 9ME 0.9097
145 NPZ 0.9097
146 5AD 0.9096
147 0NJ 0.9095
148 VC3 0.9095
149 1SF 0.9093
150 AVA 0.9092
151 5FL 0.9089
152 E6Q 0.9089
153 FT6 0.9086
154 A5K 0.9082
155 1ER 0.9082
156 A7Q 0.9081
157 A5Q 0.9080
158 ZRK 0.9080
159 DE7 0.9078
160 Q2S 0.9077
161 5C1 0.9075
162 5F8 0.9073
163 4FP 0.9069
164 2M7 0.9068
165 F18 0.9067
166 RSV 0.9066
167 BXZ 0.9066
168 WL3 0.9065
169 MQR 0.9064
170 833 0.9063
171 IW1 0.9062
172 C4E 0.9059
173 S1D 0.9059
174 KP2 0.9058
175 4L2 0.9058
176 NQE 0.9057
177 AX5 0.9053
178 9FH 0.9050
179 J84 0.9044
180 A51 0.9039
181 WDW 0.9039
182 BXS 0.9036
183 1YO 0.9035
184 U4J 0.9035
185 NK5 0.9034
186 5E5 0.9033
187 0K7 0.9033
188 BX4 0.9030
189 5TU 0.9029
190 HX8 0.9029
191 MR4 0.9027
192 5F1 0.9026
193 AWE 0.9026
194 8V8 0.9022
195 DAH 0.9021
196 0FR 0.9020
197 H75 0.9019
198 WV7 0.9018
199 4Z9 0.9018
200 5TO 0.9016
201 4NR 0.9016
202 5M2 0.9012
203 TVC 0.9012
204 JA3 0.9011
205 VIB 0.9008
206 MDR 0.9008
207 9CE 0.9005
208 MR5 0.9005
209 G8V 0.9005
210 BSU 0.9003
211 JZ8 0.9002
212 NXB 0.9002
213 TYP 0.9002
214 ZSP 0.9002
215 R7T 0.9001
216 5VU 0.8999
217 S46 0.8998
218 U55 0.8998
219 LOT 0.8998
220 DZ1 0.8997
221 47X 0.8997
222 4CN 0.8996
223 JFS 0.8996
224 S0F 0.8996
225 GZV 0.8995
226 5ER 0.8995
227 BBY 0.8995
228 THM 0.8993
229 MUK 0.8992
230 3D1 0.8990
231 613 0.8989
232 1KN 0.8989
233 0XR 0.8989
234 FY8 0.8987
235 2JX 0.8986
236 A4V 0.8986
237 DBS 0.8985
238 D64 0.8983
239 ZTW 0.8981
240 IEE 0.8981
241 BVS 0.8980
242 MR6 0.8980
243 IWH 0.8979
244 IMK 0.8976
245 PRH 0.8975
246 HPR 0.8975
247 D25 0.8974
248 TYR 0.8974
249 HHV 0.8973
250 50Q 0.8972
251 8CC 0.8972
252 2J5 0.8972
253 XYS XYP 0.8972
254 1Q4 0.8971
255 3JC 0.8971
256 5ZM 0.8969
257 S0A 0.8968
258 EES 0.8968
259 12R 0.8968
260 FCD 0.8967
261 IQW 0.8967
262 JF8 0.8967
263 JFZ 0.8966
264 4AU 0.8965
265 QTD 0.8965
266 G2V 0.8964
267 6SD 0.8963
268 4GU 0.8962
269 TOH 0.8961
270 LOX XYP 0.8961
271 KF5 0.8960
272 KYN 0.8960
273 PCQ 0.8959
274 F91 0.8957
275 6EL 0.8954
276 78U 0.8953
277 X2M 0.8950
278 6DQ 0.8949
279 S7V 0.8949
280 C53 0.8949
281 C0V 0.8949
282 ZRL 0.8949
283 EZB 0.8947
284 CJZ 0.8946
285 AD3 0.8946
286 FM2 0.8946
287 4K2 0.8945
288 CC5 0.8943
289 KUP 0.8942
290 JOB 0.8942
291 PTB 0.8942
292 ZEZ 0.8939
293 W23 0.8937
294 2OH 0.8937
295 XYP XIM 0.8936
296 VBC 0.8936
297 4AF 0.8936
298 4Z1 0.8936
299 NOS 0.8936
300 HO6 0.8934
301 2PK 0.8934
302 1V8 0.8933
303 JAH 0.8932
304 CMG 0.8931
305 3WK 0.8931
306 7G0 0.8931
307 57D 0.8930
308 272 0.8929
309 1V4 0.8928
310 WA2 0.8928
311 RVE 0.8928
312 LI4 0.8927
313 1DA 0.8927
314 EQA 0.8927
315 5N5 0.8926
316 TBN 0.8926
317 C82 0.8924
318 AZY 0.8924
319 Q92 0.8923
320 EV2 0.8920
321 Y70 0.8920
322 72E 0.8919
323 OA1 0.8918
324 YUG 0.8918
325 G14 0.8917
326 F63 0.8917
327 GEN 0.8916
328 FLF 0.8913
329 MMS 0.8913
330 TVZ 0.8913
331 3IL 0.8913
332 AP6 0.8913
333 2GA 0.8913
334 LJ5 0.8913
335 92O 0.8912
336 OSP 0.8912
337 NQK 0.8912
338 STL 0.8909
339 7ZL 0.8908
340 FHI 0.8908
341 8UY 0.8907
342 2QV 0.8906
343 FMB 0.8905
344 TH1 0.8905
345 H4B 0.8905
346 X48 0.8901
347 0GA 0.8901
348 FZM 0.8899
349 0SY 0.8899
350 S7D 0.8898
351 Q0K 0.8897
352 F4U 0.8897
353 9VQ 0.8896
354 D1Y 0.8894
355 789 0.8894
356 28B 0.8893
357 72D 0.8892
358 7N8 0.8892
359 PIQ 0.8891
360 KHP 0.8891
361 22F 0.8890
362 IMH 0.8889
363 4ZF 0.8888
364 L1T 0.8888
365 HH6 0.8888
366 JNW 0.8887
367 3VW 0.8886
368 Q11 0.8886
369 RDV 0.8885
370 TEF 0.8885
371 9FN 0.8885
372 FMC 0.8883
373 XYA 0.8883
374 1V3 0.8882
375 U14 0.8882
376 D9Z 0.8880
377 6DE 0.8880
378 A7K 0.8879
379 LVB 0.8878
380 AX4 0.8878
381 D4G 0.8878
382 NE2 0.8877
383 PUR 0.8876
384 5I5 0.8874
385 LZJ 0.8874
386 6C9 0.8873
387 0QA 0.8872
388 1HR 0.8872
389 22M 0.8871
390 0OP 0.8870
391 7R4 0.8869
392 NFZ 0.8868
393 ID8 0.8867
394 ESJ 0.8866
395 5FD 0.8866
396 FC2 0.8866
397 4FF 0.8865
398 YIP 0.8864
399 2D2 0.8864
400 LJ2 0.8862
401 3L1 0.8861
402 ZZA 0.8859
403 2OX 0.8858
404 6WR 0.8858
405 NE1 0.8856
406 3DE 0.8855
407 3Q0 0.8855
408 RE2 0.8854
409 3CX 0.8854
410 H48 0.8852
411 SJR 0.8851
412 DZ2 0.8850
413 121 0.8850
414 6BK 0.8847
415 CHJ 0.8847
416 3AK 0.8846
417 5NR 0.8846
418 54F 0.8846
419 135 0.8845
420 Y3J 0.8844
421 ZYC 0.8844
422 BVB 0.8843
423 54E 0.8843
424 GAT 0.8843
425 CTE 0.8843
426 PUE 0.8842
427 801 0.8842
428 IPJ 0.8841
429 5R8 0.8840
430 M2E 0.8838
431 6J5 0.8838
432 AJ6 0.8837
433 51Y 0.8837
434 8KW 0.8836
435 CHQ 0.8836
436 BNY 0.8834
437 5OR 0.8834
438 397 0.8834
439 2LT 0.8833
440 1XS 0.8832
441 HBI 0.8832
442 SWX 0.8832
443 MZR 0.8829
444 Q8D 0.8829
445 5CK 0.8827
446 20D 0.8827
447 7EL 0.8826
448 OA4 0.8826
449 TLF 0.8825
450 I2E 0.8823
451 WLH 0.8822
452 ARJ 0.8821
453 4AB 0.8821
454 AUY 0.8820
455 NWW 0.8820
456 LZ4 0.8820
457 H2B 0.8819
458 5E4 0.8819
459 16Z 0.8818
460 QC1 0.8817
461 A4D 0.8817
462 E9S 0.8817
463 A9B 0.8816
464 5TT 0.8816
465 PW1 0.8815
466 3D8 0.8815
467 A73 0.8815
468 DFL 0.8814
469 B41 0.8813
470 5CQ 0.8813
471 NEO 0.8812
472 2PV 0.8811
473 205 0.8811
474 1Q1 0.8811
475 QRP 0.8810
476 MI2 0.8809
477 1V1 0.8809
478 ZIP 0.8808
479 L12 0.8808
480 5CD 0.8808
481 5YA 0.8807
482 JCZ 0.8807
483 4BX 0.8806
484 3AD 0.8806
485 BC5 0.8803
486 LL1 0.8803
487 AUE 0.8802
488 F40 0.8802
489 FHV 0.8801
490 7W7 0.8800
491 0OY 0.8799
492 7XX 0.8799
493 STV 0.8798
494 D26 0.8797
495 CMP 0.8797
496 CU8 0.8796
497 AGI 0.8796
498 TOP 0.8793
499 1OT 0.8793
500 92G 0.8793
501 XCG 0.8792
502 DFV 0.8792
503 6FG 0.8790
504 CX6 0.8789
505 BHS 0.8789
506 0OL 0.8787
507 IW2 0.8787
508 TIA 0.8786
509 00G 0.8783
510 109 0.8783
511 9AG 0.8783
512 A63 0.8783
513 5NN 0.8781
514 6JO 0.8780
515 LWS 0.8779
516 TJM 0.8778
517 NW1 0.8776
518 JOT 0.8774
519 ZW2 0.8773
520 FMQ 0.8773
521 124 0.8772
522 F4K 0.8772
523 3QI 0.8771
524 Z70 0.8771
525 G30 0.8769
526 Q8G 0.8768
527 EI1 0.8767
528 P4L 0.8767
529 NPS 0.8765
530 38B 0.8765
531 5O6 0.8765
532 AHR AHR 0.8765
533 3NF 0.8764
534 GAL FUC 0.8763
535 NAR 0.8763
536 A4N 0.8762
537 3SU 0.8761
538 DDC 0.8761
539 6MD 0.8761
540 J1K 0.8760
541 4YE 0.8759
542 A6Z 0.8759
543 4CF 0.8759
544 3RP 0.8758
545 5BX 0.8758
546 5F7 0.8756
547 PZ8 0.8754
548 5H6 0.8754
549 22L 0.8753
550 363 0.8752
551 EDG AHR 0.8752
552 L15 0.8750
553 BP7 0.8750
554 1EB 0.8750
555 JCQ 0.8749
556 UN4 0.8746
557 NBZ GLA 0.8743
558 DTR 0.8743
559 GXG 0.8742
560 GLA NPO 0.8742
561 NWD 0.8741
562 CTN 0.8736
563 K80 0.8736
564 0DN 0.8736
565 AFX 0.8736
566 0NX 0.8736
567 HPK 0.8736
568 FM1 0.8735
569 RGK 0.8735
570 6C4 0.8734
571 CR4 0.8733
572 BMZ 0.8733
573 51P 0.8733
574 9MK 0.8731
575 AUG 0.8728
576 TGW 0.8728
577 OAK 0.8727
578 40N 0.8727
579 IXG 0.8726
580 MTP 0.8725
581 NOC 0.8722
582 6J3 0.8722
583 K0G 0.8722
584 KWB 0.8720
585 S0B 0.8719
586 8M5 0.8718
587 6C8 0.8716
588 15Q 0.8716
589 7PJ 0.8714
590 GHQ 0.8713
591 JGY 0.8712
592 DUR 0.8712
593 IIH 0.8712
594 EST 0.8712
595 6HO 0.8709
596 KTM 0.8708
597 F02 0.8705
598 RKN 0.8704
599 SZ5 0.8703
600 NX1 0.8703
601 3GX 0.8703
602 NXY 0.8703
603 STZ 0.8702
604 YX1 0.8702
605 B21 0.8701
606 72G 0.8700
607 3WO 0.8699
608 3WN 0.8699
609 C1E 0.8698
610 HXY 0.8695
611 CWE 0.8695
612 50C 0.8692
613 DCF 0.8692
614 P93 0.8692
615 22T 0.8690
616 3F4 0.8690
617 6WU 0.8689
618 TH4 0.8687
619 8CV 0.8685
620 5ID 0.8682
621 ING 0.8681
622 6EN 0.8680
623 DCZ 0.8679
624 5DE 0.8677
625 SYE 0.8676
626 BIO 0.8675
627 N0H 0.8672
628 26A 0.8670
629 FUB AHR 0.8669
630 W1G 0.8665
631 97K 0.8664
632 LJ3 0.8663
633 D1G 0.8663
634 7PS 0.8663
635 DSQ 0.8663
636 120 0.8662
637 D5F 0.8661
638 J2N 0.8661
639 2FA 0.8660
640 EVO 0.8660
641 4G2 0.8660
642 TZM 0.8658
643 GMP 0.8658
644 EDZ 0.8657
645 D2S 0.8655
646 EYY 0.8655
647 3VS 0.8655
648 IW4 0.8655
649 LTN 0.8655
650 EUH 0.8654
651 BG8 0.8653
652 GXD 0.8652
653 C2M 0.8652
654 3QO 0.8647
655 RFZ 0.8647
656 TMG 0.8645
657 OJ7 0.8645
658 9PL 0.8645
659 3XH 0.8644
660 MTA 0.8644
661 CT0 0.8639
662 XDH 0.8639
663 CIU 0.8639
664 H5E 0.8639
665 E9L 0.8638
666 7G2 0.8636
667 XYP AHR 0.8636
668 PHQ DAL 0.8634
669 J5Z 0.8632
670 B2L 0.8631
671 WG8 0.8628
672 DTY 0.8627
673 5BT 0.8626
674 TYC 0.8624
675 A26 0.8624
676 AJ1 0.8623
677 MGI 0.8622
678 AJD 0.8622
679 PV4 0.8619
680 88X 0.8619
681 G1L 0.8617
682 NKI 0.8614
683 25F 0.8613
684 A4T 0.8610
685 CDJ 0.8609
686 B23 0.8607
687 PPN 0.8606
688 M77 0.8606
689 C0Y 0.8602
690 08C 0.8599
691 SIJ 0.8599
692 O9Q 0.8598
693 EUN 0.8595
694 MRE 0.8594
695 0LA 0.8594
696 W8L 0.8593
697 0QR 0.8593
698 SB7 0.8593
699 TB8 0.8590
700 HRX 0.8589
701 ON1 0.8584
702 LVE 0.8583
703 94M 0.8582
704 KMY 0.8581
705 CFE 0.8579
706 GLA BEZ 0.8576
707 3D3 0.8575
708 TCW 0.8573
709 4F8 0.8572
710 697 0.8571
711 GPK 0.8560
712 90G 0.8554
713 AJG 0.8552
714 LWA 0.8550
715 5NB 0.8549
716 IW5 0.8546
717 LLG 0.8546
718 ISX 0.8545
719 RUG 0.8544
720 YX0 0.8540
721 DGO Z61 0.8537
722 15I 0.8524
723 TKT 0.8523
724 NFK 0.8523
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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