-->
Receptor
PDB id Resolution Class Description Source Keywords
3G1L 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUN MYCOBACTERIUM TUBERCULOSIS TETR FAMILY DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGUL
Ref.: SYNTHETIC ETHR INHIBITORS BOOST ANTITUBERCULOUS ACT ETHIONAMIDE. NAT.MED. (N.Y.) V. 15 537 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RF2 A:237;
Valid;
none;
submit data
239.248 C14 H10 F N3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SFI 2.31 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ETHIONAMIDE BOOSTERS PART 2: COMBINING BIOISOSTERIC REPLACEM STRUCTURE-BASED DRUG DESIGN TO SOLVE PHARMACOKINETIC ISSUESS ERIES OF POTENT 1,2,4-OXADIAZOLE ETHR INHIBITORS. MYCOBACTERIUM TUBERCULOSIS TETR-FAMILY TRANSCRITPTIONAL REGULATORY REPRESSOR INHIBITODNA BINDING PROTEIN TRANSCRIPTION REPRESSOR-INHIBITOR COMP
Ref.: ETHIONAMIDE BOOSTERS. 2. COMBINING BIOISOSTERIC REP AND STRUCTURE-BASED DRUG DESIGN TO SOLVE PHARMACOKI ISSUES IN A SERIES OF POTENT 1,2,4-OXADIAZOLE ETHR INHIBITORS. J.MED.CHEM. V. 55 68 2012
Members (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 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 6HOC - GJE C10 H9 F3 N4 O c1cc(ccc1C....
28 3O8H ic50 = 580 nM O8H C22 H22 I N7 O4 S2 c1cc(sc1)c....
29 5MXK ic50 = 0.15 mM ZHA C12 H13 N O2 CC(=O)Nc1c....
30 5IOZ Kd = 11 uM 6C4 C12 H21 N O C1CCC(C1)C....
31 6HOB - GJ5 C17 H19 F3 N2 O S CC(C)Cc1nc....
32 6HNX - GFZ C29 H30 N2 O3 CC(C)N1CCC....
33 6HO7 - GHQ C10 H10 F3 N O c1ccc(cc1)....
34 5EZH Kd = 24 uM 841 C16 H24 N4 O c1ccnc(c1)....
35 5MWO ic50 = 0.19 mM J6W C10 H10 O S Cc1ccc2c(c....
36 5EYR Kd = 5 uM 5T0 C20 H31 N3 O CNCc1ccc(c....
37 6HO4 - GFQ C19 H23 F3 N2 O S CC(C)CCCc1....
38 3G1O ic50 = 38 uM RF1 C16 H21 N3 O3 S CC(C)(C)OC....
39 5NIO - 8YH C11 H22 N2 O CCCCNC(=O)....
40 6HO1 - GFW C18 H24 N2 O4 S2 CCOC(=O)Cc....
41 5F0H ic50 = 33 uM 5TC C27 H34 N4 O c1cc(ccc1C....
42 4M3D ic50 = 3.9 uM 2H2 C19 H17 F3 N2 O3 S c1ccc(cc1)....
43 5J1R Kd = 22 uM 6FG C11 H15 N O2 c1cocc1CCC....
44 6HOE - GH2 C17 H17 F3 N2 O3 S CCOC(=O)Cc....
45 3SDG ic50 = 2.8 uM 3SE C14 H15 F3 N4 O2 S c1csc(n1)c....
46 6HOD - GHK C15 H14 N2 O4 S2 c1ccc(cc1)....
47 6HNZ - GH5 C17 H18 F3 N3 O2 c1ccc(cc1)....
48 6HO9 - GHB C16 H19 F3 N4 O CC(C)Cc1cn....
49 4DW6 - 0MN C22 H18 N2 O3 S COc1cccc(c....
50 3G1L - RF2 C14 H10 F N3 c1ccc(cc1)....
51 5IP6 - 6C9 C10 H18 N2 O2 C1CCN(C1)C....
52 5MXV ic50 = 12 uM K3T C12 H8 Cl F N2 O S2 c1cc2c(cc1....
53 5IPA Kd = 20 uM 6C8 C11 H13 N O2 c1cocc1/C=....
54 5NIM - 8YE C14 H16 N4 O3 CCCc1cc(no....
55 6HO6 - GGK C13 H15 F3 N2 O4 S2 CS(=O)(=O)....
56 5F0F Kd = 1 uM 5TD C19 H25 N3 O c1cc(ccc1C....
57 5MYW - WCU C13 H12 N2 O2 c1ccc(c(c1....
58 5MYN ic50 = 30 uM ZUF C13 H9 Cl N4 S c1ccnc(c1)....
59 6HO3 - GJ2 C18 H17 F3 N2 O4 S2 c1ccc(cc1)....
60 4M3F ic50 = 4.9 uM 2D1 C15 H20 N2 O2 S2 Cc1nc(cs1)....
61 5EZG Kd = 12 uM 5T4 C15 H23 N5 O c1cnc(nc1)....
62 4M3B ic50 = 0.4 uM 2B2 C14 H13 F3 N2 O S Cc1nc(cs1)....
63 3G1M ic50 = 0.522 uM RF3 C17 H17 N3 O2 S2 c1cc(sc1)C....
64 3TP0 - FO5 C14 H14 N4 O2 S c1cc(sc1)c....
70% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 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 6HOC - GJE C10 H9 F3 N4 O c1cc(ccc1C....
28 3O8H ic50 = 580 nM O8H C22 H22 I N7 O4 S2 c1cc(sc1)c....
29 5MXK ic50 = 0.15 mM ZHA C12 H13 N O2 CC(=O)Nc1c....
30 5IOZ Kd = 11 uM 6C4 C12 H21 N O C1CCC(C1)C....
31 6HOB - GJ5 C17 H19 F3 N2 O S CC(C)Cc1nc....
32 6HNX - GFZ C29 H30 N2 O3 CC(C)N1CCC....
33 6HO7 - GHQ C10 H10 F3 N O c1ccc(cc1)....
34 5EZH Kd = 24 uM 841 C16 H24 N4 O c1ccnc(c1)....
35 5MWO ic50 = 0.19 mM J6W C10 H10 O S Cc1ccc2c(c....
36 5EYR Kd = 5 uM 5T0 C20 H31 N3 O CNCc1ccc(c....
37 6HO4 - GFQ C19 H23 F3 N2 O S CC(C)CCCc1....
38 3G1O ic50 = 38 uM RF1 C16 H21 N3 O3 S CC(C)(C)OC....
39 5NIO - 8YH C11 H22 N2 O CCCCNC(=O)....
40 6HO1 - GFW C18 H24 N2 O4 S2 CCOC(=O)Cc....
41 5F0H ic50 = 33 uM 5TC C27 H34 N4 O c1cc(ccc1C....
42 4M3D ic50 = 3.9 uM 2H2 C19 H17 F3 N2 O3 S c1ccc(cc1)....
43 5J1R Kd = 22 uM 6FG C11 H15 N O2 c1cocc1CCC....
44 6HOE - GH2 C17 H17 F3 N2 O3 S CCOC(=O)Cc....
45 3SDG ic50 = 2.8 uM 3SE C14 H15 F3 N4 O2 S c1csc(n1)c....
46 6HOD - GHK C15 H14 N2 O4 S2 c1ccc(cc1)....
47 6HNZ - GH5 C17 H18 F3 N3 O2 c1ccc(cc1)....
48 6HO9 - GHB C16 H19 F3 N4 O CC(C)Cc1cn....
49 4DW6 - 0MN C22 H18 N2 O3 S COc1cccc(c....
50 3G1L - RF2 C14 H10 F N3 c1ccc(cc1)....
51 5IP6 - 6C9 C10 H18 N2 O2 C1CCN(C1)C....
52 5MXV ic50 = 12 uM K3T C12 H8 Cl F N2 O S2 c1cc2c(cc1....
53 5IPA Kd = 20 uM 6C8 C11 H13 N O2 c1cocc1/C=....
54 5NIM - 8YE C14 H16 N4 O3 CCCc1cc(no....
55 6HO6 - GGK C13 H15 F3 N2 O4 S2 CS(=O)(=O)....
56 5F0F Kd = 1 uM 5TD C19 H25 N3 O c1cc(ccc1C....
57 5MYW - WCU C13 H12 N2 O2 c1ccc(c(c1....
58 5MYN ic50 = 30 uM ZUF C13 H9 Cl N4 S c1ccnc(c1)....
59 6HO3 - GJ2 C18 H17 F3 N2 O4 S2 c1ccc(cc1)....
60 4M3F ic50 = 4.9 uM 2D1 C15 H20 N2 O2 S2 Cc1nc(cs1)....
61 5EZG Kd = 12 uM 5T4 C15 H23 N5 O c1cnc(nc1)....
62 4M3B ic50 = 0.4 uM 2B2 C14 H13 F3 N2 O S Cc1nc(cs1)....
63 3G1M ic50 = 0.522 uM RF3 C17 H17 N3 O2 S2 c1cc(sc1)C....
64 3TP0 - FO5 C14 H14 N4 O2 S c1cc(sc1)c....
50% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 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 6HOC - GJE C10 H9 F3 N4 O c1cc(ccc1C....
28 3O8H ic50 = 580 nM O8H C22 H22 I N7 O4 S2 c1cc(sc1)c....
29 5MXK ic50 = 0.15 mM ZHA C12 H13 N O2 CC(=O)Nc1c....
30 5IOZ Kd = 11 uM 6C4 C12 H21 N O C1CCC(C1)C....
31 6HOB - GJ5 C17 H19 F3 N2 O S CC(C)Cc1nc....
32 6HNX - GFZ C29 H30 N2 O3 CC(C)N1CCC....
33 6HO7 - GHQ C10 H10 F3 N O c1ccc(cc1)....
34 5EZH Kd = 24 uM 841 C16 H24 N4 O c1ccnc(c1)....
35 5MWO ic50 = 0.19 mM J6W C10 H10 O S Cc1ccc2c(c....
36 5EYR Kd = 5 uM 5T0 C20 H31 N3 O CNCc1ccc(c....
37 6HO4 - GFQ C19 H23 F3 N2 O S CC(C)CCCc1....
38 3G1O ic50 = 38 uM RF1 C16 H21 N3 O3 S CC(C)(C)OC....
39 5NIO - 8YH C11 H22 N2 O CCCCNC(=O)....
40 6HO1 - GFW C18 H24 N2 O4 S2 CCOC(=O)Cc....
41 5F0H ic50 = 33 uM 5TC C27 H34 N4 O c1cc(ccc1C....
42 4M3D ic50 = 3.9 uM 2H2 C19 H17 F3 N2 O3 S c1ccc(cc1)....
43 5J1R Kd = 22 uM 6FG C11 H15 N O2 c1cocc1CCC....
44 6HOE - GH2 C17 H17 F3 N2 O3 S CCOC(=O)Cc....
45 3SDG ic50 = 2.8 uM 3SE C14 H15 F3 N4 O2 S c1csc(n1)c....
46 6HOD - GHK C15 H14 N2 O4 S2 c1ccc(cc1)....
47 6HNZ - GH5 C17 H18 F3 N3 O2 c1ccc(cc1)....
48 6HO9 - GHB C16 H19 F3 N4 O CC(C)Cc1cn....
49 4DW6 - 0MN C22 H18 N2 O3 S COc1cccc(c....
50 3G1L - RF2 C14 H10 F N3 c1ccc(cc1)....
51 5IP6 - 6C9 C10 H18 N2 O2 C1CCN(C1)C....
52 5MXV ic50 = 12 uM K3T C12 H8 Cl F N2 O S2 c1cc2c(cc1....
53 5IPA Kd = 20 uM 6C8 C11 H13 N O2 c1cocc1/C=....
54 5NIM - 8YE C14 H16 N4 O3 CCCc1cc(no....
55 6HO6 - GGK C13 H15 F3 N2 O4 S2 CS(=O)(=O)....
56 5F0F Kd = 1 uM 5TD C19 H25 N3 O c1cc(ccc1C....
57 5MYW - WCU C13 H12 N2 O2 c1ccc(c(c1....
58 5MYN ic50 = 30 uM ZUF C13 H9 Cl N4 S c1ccnc(c1)....
59 6HO3 - GJ2 C18 H17 F3 N2 O4 S2 c1ccc(cc1)....
60 4M3F ic50 = 4.9 uM 2D1 C15 H20 N2 O2 S2 Cc1nc(cs1)....
61 5EZG Kd = 12 uM 5T4 C15 H23 N5 O c1cnc(nc1)....
62 4M3B ic50 = 0.4 uM 2B2 C14 H13 F3 N2 O S Cc1nc(cs1)....
63 3G1M ic50 = 0.522 uM RF3 C17 H17 N3 O2 S2 c1cc(sc1)C....
64 3TP0 - FO5 C14 H14 N4 O2 S c1cc(sc1)c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RF2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RF2 1 1
2 39R 0.5 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SFI; Ligand: 3SF; Similar sites found with APoc: 328
This union binding pocket(no: 1) in the query (biounit: 3sfi.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 2VWA PTY None
2 1HBK MYR None
3 5MWE TCE None
4 5NNT DPV None
5 4V2O CLQ None
6 3D04 SAK None
7 5N8V KZZ None
8 2QLX RM4 None
9 1G27 BB1 None
10 5F5R ANP None
11 5FH7 5XL None
12 3B9Z CO2 None
13 1HBK COA None
14 3IA4 MTX None
15 4JGX PLM None
16 5CSD ACD 1.25786
17 4I90 CHT 1.27119
18 4URN NOV 1.33333
19 1Q1Y BB2 1.57068
20 2YJD YJD 1.69492
21 1YYE 196 1.69492
22 3OLL EST 1.69492
23 1U3R 338 1.69492
24 1C1X HFA 1.69492
25 1BW9 PPY 1.69492
26 4RHP PEF 1.70213
27 3SE5 ANP 1.82927
28 5V4R MGT 1.85185
29 1NF8 BOG 1.93237
30 2WOR 2AN 2
31 4DR9 BB2 2.08333
32 1X0P FAD 2.0979
33 1XVB 3BR 2.11864
34 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.11864
35 4F06 PHB 2.11864
36 5FQK 6NT 2.11864
37 6C0B PAM 2.11864
38 3SDV 911 2.11864
39 1XVB BBX 2.11864
40 1WMA AB3 2.11864
41 4OAR 2S0 2.11864
42 5NM7 GLY 2.11864
43 3GKJ HC3 2.15517
44 6CWH 6LA 2.1978
45 3N8K D1X 2.32558
46 3QXV MTX 2.38095
47 2HZL PYR 2.46575
48 1S8G DAO 2.47934
49 2GJ3 FAD 2.5
50 5W7B MYR 2.54237
51 5AZC PGT 2.54237
52 1O6U PLM 2.54237
53 5EE7 5MV 2.54237
54 6BMM OLB 2.54237
55 2UW1 GVM 2.54237
56 3B99 U51 2.54237
57 5HCV 60R 2.54237
58 3R9V DXC 2.54237
59 3JRX S1A 2.54237
60 1UBY DMA 2.54237
61 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 2.54237
62 4DO1 ANN 2.54237
63 5OHJ 9VE 2.54237
64 5B4B LP5 2.54237
65 4B1X LAB 2.54237
66 1SO2 666 2.54237
67 1P1M MET 2.54237
68 3B6C SDN 2.5641
69 2BHW NEX 2.58621
70 1N5S ADL 2.67857
71 5N26 CPT 2.74725
72 2WH8 II2 2.90557
73 5CHR 4NC 2.91971
74 4WGF HX2 2.92683
75 6BR8 PGV 2.9661
76 3E70 GDP 2.9661
77 6BR8 6OU 2.9661
78 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.9661
79 6H8S FSZ 2.9661
80 1AUA BOG 2.9661
81 2E9L PLM 2.9661
82 1W96 S1A 2.9661
83 5AHS COA 2.9661
84 1S9A BEZ 2.9661
85 4NKW PLO 2.9661
86 4JHG ZEA 2.97619
87 4OAS 2SW 3.125
88 5KZV HCD 3.14961
89 1FCH TYR GLN SER LYS LEU 3.26087
90 5OLK DTP 3.38983
91 5LX9 OLB 3.38983
92 3B2Q AES 3.38983
93 4MGA 27L 3.38983
94 2HHP FLC 3.38983
95 2JHP GUN 3.38983
96 4MGB XDH 3.38983
97 3SQP 3J8 3.38983
98 4TV1 36M 3.38983
99 5HYR EST 3.38983
100 4TUZ 36J 3.38983
101 3UUD EST 3.38983
102 5WGD EST 3.38983
103 5DXE EST 3.38983
104 5MBC FMN 3.38983
105 5WGQ EST 3.38983
106 4MG8 27J 3.38983
107 5OSW DIU 3.38983
108 4MGD 27N 3.38983
109 4AG5 ADP 3.38983
110 5IUY BOG 3.38983
111 4MG7 27H 3.38983
112 3I7S PYR 3.38983
113 5I8G 69E 3.38983
114 5DXG EST 3.38983
115 4O1Z MXM 3.38983
116 5DX3 EST 3.38983
117 2V5E SCR 3.5
118 6CAY ERG 3.5503
119 4DE3 DN8 3.81356
120 4DDY DN6 3.81356
121 3HSS MLA 3.81356
122 5U97 PIT 3.81356
123 3SP6 IL2 3.81356
124 3EBL GA4 3.81356
125 6FFI D8B 3.81356
126 4IBF 1D5 3.87597
127 2HFN FMN 3.92157
128 4F4S EFO 3.94737
129 1ID0 ANP 3.94737
130 4HBM 0Y7 4.16667
131 3O01 DXC 4.23729
132 4V3I ASP LEU THR ARG PRO 4.23729
133 6BMS PLM 4.23729
134 5LWY OLB 4.23729
135 2HFP NSI 4.23729
136 3GFZ FMN 4.23729
137 1K7L 544 4.23729
138 5U83 ZN8 4.24528
139 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 4.34783
140 2ALG HP6 4.34783
141 2ALG DAO 4.34783
142 1MID LAP 4.3956
143 4O4Z N2O 4.54545
144 5IM3 DTP 4.66102
145 5C1M OLC 4.66102
146 5HCN DAO 4.66102
147 5C1M CLR 4.66102
148 4J6C STR 4.66102
149 6BVJ EAS 4.66102
150 3WQM B29 4.66102
151 6BVL EBY 4.66102
152 6BVI EC4 4.66102
153 5O6Y 5YA 4.6729
154 4XCP PLM 4.70588
155 3IX9 MTX 4.73684
156 2B96 ANN 4.87805
157 3G5K BB2 4.91803
158 1DTL BEP 4.96894
159 4JE7 BB2 5.07614
160 3HP9 CF1 5.08475
161 6CGN DA 5.08475
162 2Q8G AZX 5.08475
163 4QO5 NAG 5.08475
164 2W90 6PG 5.08475
165 2C9E DGD 5.08475
166 4BNU 9KQ 5.08475
167 3DCT 064 5.10638
168 6D28 NEC 5.12821
169 5M37 9SZ 5.21739
170 5M36 9SZ 5.24017
171 5ICK FEZ 5.24017
172 3RUU 37G 5.24017
173 5UC9 MYR 5.30973
174 2WG9 OCA 5.38462
175 4FGC PQ0 5.45455
176 5URY PAM 5.47945
177 6BR9 PGV 5.50847
178 4COL DTP 5.50847
179 5CX8 TG6 5.50847
180 5OM2 DXT 5.50847
181 1GNI OLA 5.50847
182 4IA6 EIC 5.50847
183 6BR9 6OU 5.50847
184 5OCA 9QZ 5.55556
185 5A4W QCT 5.66038
186 1ZEI CRS 5.66038
187 1XZ3 ICF 5.74713
188 5AEW BNL 5.85106
189 3TDC 0EU 5.9322
190 4G86 BNT 5.9322
191 5WIU AQD 5.9322
192 3RET PYR 5.94059
193 3RET SAL 5.94059
194 3NJQ NJQ 6.21762
195 1N8V BDD 6.25
196 1EYQ NAR 6.30631
197 5UGW GSH 6.35593
198 3W54 RNB 6.35593
199 3ROE THM 6.35593
200 2QJY UQ2 6.35593
201 4KCF AKM 6.35593
202 1RL4 BL5 6.38298
203 4WH9 3M8 6.55738
204 5MTE BB2 6.56934
205 3KXC PLM 6.70103
206 5DCH 1YO 6.77083
207 2GWH PCI 6.77966
208 1I0B PEL 6.77966
209 6B21 C9V 6.77966
210 5CX6 CDP 6.77966
211 1ZPD CIT 6.77966
212 2XN5 FUN 6.77966
213 3HR1 PF9 6.77966
214 2VDY HCY 6.77966
215 6FQZ 6PG 6.77966
216 3TL1 JRO 6.91824
217 3KO0 TFP 6.93069
218 3N7S 3N7 6.95652
219 5XJ7 87O 6.96517
220 5EHR 5OD 7.20339
221 3KJQ B94 7.36842
222 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 7.56302
223 3G58 988 7.62712
224 1TV5 N8E 7.62712
225 1T0S BML 7.62712
226 1J78 OLA 7.62712
227 3G4G D71 7.62712
228 1J78 VDY 7.62712
229 1OW4 2AN 7.75194
230 1MT1 AG2 7.9646
231 1N13 AG2 7.9646
232 3FAL REA 8.05085
233 6A5Y 9CR 8.05085
234 4UCC ZKW 8.05085
235 5K53 STE 8.05085
236 5K52 OCD 8.05085
237 3NMV PYV 8.05085
238 5GUE GGS 8.05085
239 4V1F BQ1 8.13953
240 2BCG GER 8.25243
241 3H0A 9RA 8.33333
242 2RH1 CLR 8.47458
243 3KMZ EQO 8.47458
244 3ETG GWD 8.47458
245 3KMR EQN 8.47458
246 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 8.55263
247 1FK5 OLA 8.60215
248 6GMN F4E 8.65385
249 5A7C 5D4 8.84956
250 1BWO LPC 8.88889
251 6C1R EFD 8.8983
252 4BIX ADP 8.8983
253 1ZGA HMK 8.8983
254 4RW3 PLM 8.8983
255 3A51 VDY 8.8983
256 4YSX E23 8.97436
257 3RV5 DXC 8.98876
258 4RC8 STE 9.00901
259 6CB2 OLC 9.32203
260 3UG4 AHR 9.32203
261 3NB0 G6P 9.32203
262 5EEH P9P 9.32203
263 1JNQ EGT 9.32203
264 1XMY ROL 9.74576
265 1XM4 PIL 9.74576
266 1XMU ROF 9.74576
267 2JC9 ADN 9.74576
268 3ET1 ET1 9.74576
269 4ARE FLC 9.74576
270 4ZGM 32M 9.83607
271 1S17 GNR 10
272 1FX8 BOG 10.1695
273 2Z9I GLY ALA THR VAL 10.1695
274 3BQD DAY 10.1695
275 1L0I PSR 10.2564
276 4I67 G G G RPC 10.3448
277 5UC4 83S 10.4545
278 1ZED PNP 10.5932
279 5FUS DAO 10.5932
280 3RLF MAL 10.5932
281 5G5W R8C 10.5932
282 2Q2Y MKR 10.5932
283 2Q2Y ADP 10.5932
284 3L1N PLM 10.8247
285 4RLT FSE 10.8844
286 5KAU RHQ 10.9091
287 4FFG LBS 11.0169
288 5GQX GLC GLC GLC GLC 11.0169
289 6DIO CIT 11.4407
290 5B0I BOG 11.4407
291 4EIL FOL 11.4407
292 2O1V ADP 11.4407
293 3E3U NVC 11.6751
294 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 11.7647
295 5V3Y 5V8 11.8644
296 1YC4 43P 11.8644
297 2Y69 CHD 12.5
298 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 13
299 5C9J DAO 13.1313
300 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 13.1313
301 3RMK BML 13.253
302 4OKD GLC GLC GLC 13.5593
303 2YDW WSH 13.7255
304 2D5X L35 14.1844
305 4UYG 73B 14.6497
306 5O2N FLC 14.8305
307 4Q0A 4OA 14.9007
308 5G3N X28 14.9606
309 2IBZ UQ6 15.1515
310 5Y02 HBX 15.8879
311 5Y02 MXN 15.8879
312 4MA7 P2Z 16.9492
313 2VAR AMP 17.3729
314 5Z84 CHD 17.8571
315 5ZCO CHD 17.8571
316 5W97 CHD 17.8571
317 5ZCO PEK 17.8571
318 5ZCO PGV 17.8571
319 5Z84 PEK 17.8571
320 2DYR PGV 17.8571
321 2DYS PGV 17.8571
322 5Z84 PGV 17.8571
323 2DYS PEK 17.8571
324 4OGQ 7PH 18.9944
325 4OGQ 1O2 18.9944
326 4OGQ 2WD 18.9944
327 2IDO TMP 20.4819
328 3AQT RCO 25
Pocket No.: 2; Query (leader) PDB : 3SFI; Ligand: 3SF; 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: 3sfi.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback