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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 28 families. | |||||
1 | 1L8G | - | DBD | C18 H14 N2 O9 S2 | c1ccc2c(c1.... |
2 | 2CNI | ic50 = 21 nM | IZF | C31 H34 Cl N3 O10 S2 | COC(=O)c1c.... |
3 | 2F6Y | ic50 = 134.8 uM | ENT | C16 H23 N3 O6 S | CC(C)(C)OC.... |
4 | 2F6T | Ki = 24 uM | 1C2 | C16 H23 N3 O6 S | CC(C)(C)OC.... |
5 | 1NL9 | - | 989 | C29 H31 N3 O7 | CCCCCNC(=O.... |
6 | 2CM7 | ic50 = 210 nM | IZD | C23 H26 N4 O6 S | CC(=O)N[C@.... |
7 | 1C83 | Ki = 14 uM | OAI | C11 H8 N2 O5 | c1c[nH]c2c.... |
8 | 2AZR | Ki = 230 uM | 982 | C10 H7 N O5 S | c1cc2c(c(s.... |
9 | 1PH0 | - | 418 | C34 H35 N3 O12 | COC(=O)c1c.... |
10 | 1Q6N | ic50 = 0.023 uM | P90 | C31 H25 F2 N4 O3 P S | c1ccc(cc1).... |
11 | 1Q6S | ic50 = 12 nM | 214 | C38 H32 F2 N4 O6 P2 | Cc1ccc2cc(.... |
12 | 1KAK | ic50 = 26 uM | FNP | C12 H10 F4 O6 P2 | c1cc(cc2c1.... |
13 | 2HB1 | Ki = 160 uM | 512 | C7 H5 Br O5 S | c1c(c(c(s1.... |
14 | 1PTV | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
15 | 1BZH | Ki = 0.17 uM | ASP ALA ASP GLU FLT LEU AEA | n/a | n/a |
16 | 2CNE | ic50 = 1.7 nM | DFJ | C28 H29 F4 N3 O9 P2 | c1ccc(cc1).... |
17 | 1XBO | Ki = 0.92 uM | IX1 | C22 H19 N O8 | COC(=O)c1c.... |
18 | 2F6Z | ic50 = 4.8 uM | UN5 | C20 H24 N4 O8 S2 | CNC(=O)[C@.... |
19 | 2CMA | ic50 = 185 nM | F20 | C28 H28 N4 O6 S | c1ccc(cc1).... |
20 | 1PTY | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
21 | 1C88 | Ki = 5.1 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
22 | 1ECV | Ki = 14 uM | 878 | C9 H6 I N O5 | c1cc(c(cc1.... |
23 | 2F6V | ic50 = 37 uM | SK2 | C19 H21 N3 O6 S | CNC(=O)[C@.... |
24 | 2CNF | ic50 = 240 nM | F32 | C25 H21 N5 O3 S2 | c1ccc2c(c1.... |
25 | 1ONZ | - | 968 | C19 H13 N O6 | c1ccc(c(c1.... |
26 | 2QBS | Ki = 0.21 uM | 024 | C19 H20 Br N O5 S | c1cc(cc(c1.... |
27 | 2VEV | ic50 = 300 nM | IZ2 | C28 H25 F3 N4 O5 S2 | c1ccc(cc1).... |
28 | 4Y14 | Ki = 40 nM | C0A | C12 H16 Br F2 N2 O6 P S | CNC(=O)[C@.... |
29 | 1ONY | - | 588 | C27 H32 N4 O9 S | CCCCCNC(=O.... |
30 | 1NNY | - | 515 | C40 H37 N3 O10 | CC(=O)N[C@.... |
31 | 2ZN7 | Ki = 13 nM | 410 | C26 H24 Br N O6 S | c1ccc(cc1).... |
32 | 2VEU | ic50 = 100 nM | IZ1 | C27 H23 F3 N4 O5 S2 | c1ccc(cc1).... |
33 | 1JF7 | - | TBH | C31 H47 N3 O9 | CCCCCN[C@@.... |
34 | 5KAD | Kd = 37 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
35 | 5KA3 | Kd = 26 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
36 | 3EAX | Ki = 12 uM | LZP | C38 H34 N2 O8 | c1ccc(cc1).... |
37 | 1QXK | Ki = 9 uM | 429 | C25 H30 N2 O10 | CC(=O)N[C@.... |
38 | 2QBR | Ki = 0.47 uM | 910 | C20 H16 Br N O5 S | c1ccc(cc1).... |
39 | 1T48 | ic50 = 350 uM | BB3 | C19 H17 Br2 N O5 S | CCc1c(c2cc.... |
40 | 1PYN | Ki = 3.2 uM | 941 | C29 H36 N2 O12 | CC(C)(C)OC.... |
41 | 2FJN | ic50 = 39 nM | 073 | C32 H28 F2 N3 O5 P | COC(=O)c1c.... |
42 | 2F71 | ic50 = 2.5 uM | UN7 | C21 H23 N3 O7 S | CNC(=O)[C@.... |
43 | 1Q6P | ic50 = 3 nM | 213 | C34 H29 F2 N3 O6 P2 | c1ccc(cc1).... |
44 | 1WAX | ic50 = 86 uM | LO1 | C9 H10 N2 O3 | c1cc(ccc1C.... |
45 | 2CNH | ic50 = 59 nM | IZB | C27 H27 N5 O6 S2 | CN1CCOc2c1.... |
46 | 1Q6T | ic50 = 5 nM | 600 | C43 H42 F2 N4 O7 P2 | CC(C)C[C@@.... |
47 | 2VEX | ic50 = 130 nM | IZ4 | C28 H29 F N4 O5 S2 | c1ccc(cc1).... |
48 | 1Q6J | ic50 = 0.016 uM | 335 | C29 H25 F4 N3 O6 P2 | c1ccc(cc1).... |
49 | 3EB1 | Ki = 16.3 uM | LZQ | C24 H21 N O4 | c1ccc(cc1).... |
50 | 1G7F | Ki = 3.4 uM | INZ | C27 H33 N3 O9 | CCCCCNC(=O.... |
51 | 2ZMM | Ki = 25 nM | 35B | C21 H23 Br N2 O6 S | CNC(=O)N(c.... |
52 | 1AAX | - | BPM | C13 H14 O8 P2 | c1cc(ccc1C.... |
53 | 1BZC | Ki = 12 uM | TPI | C17 H17 F2 N2 O7 P | c1cc(cc2c1.... |
54 | 2QBQ | Ki = 0.036 uM | 4B3 | C23 H28 Br N O5 S | CC1(CC(CC(.... |
55 | 5K9W | Kd = 26 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
56 | 6B8Z | - | FRJ | C26 H19 Br2 N3 O7 S3 | CCc1c(c2cc.... |
57 | 2CMC | ic50 = 1750 nM | DFM | C21 H24 F2 N3 O6 P | CC(=O)N[C@.... |
58 | 2CMB | ic50 = 65 nM | F17 | C32 H29 N5 O9 S2 | c1ccc(cc1).... |
59 | 2F70 | ic50 = 33.5 uM | UN6 | C16 H19 N3 O7 S2 | c1cc(cc(c1.... |
60 | 1KAV | Ki = 1.5 uM | FEP | C18 H20 F4 O6 P2 | c1cc(ccc1C.... |
61 | 2NT7 | Ki = 0.3 uM | 902 | C25 H25 Br N6 O5 S2 | c1ccc(cc1).... |
62 | 1C87 | Ki = 63 uM | OPA | C10 H9 N O6 S | C1COCc2c1c.... |
63 | 5KAB | - | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
64 | 2H4K | Ki = 3.2 uM | 509 | C13 H9 Br O5 S | c1ccc(cc1).... |
65 | 1G7G | Ki = 0.25 uM | INX | C30 H37 N3 O10 | CCCCCNC(=O.... |
66 | 5T19 | - | 73U | C16 H17 N3 O3 S | Cc1ccc(cc1.... |
67 | 1C86 | Ki = 20 uM | OPA | C10 H9 N O6 S | C1COCc2c1c.... |
68 | 2H4G | Ki = 0.3 uM | 694 | C13 H9 Br O6 S | c1cc(ccc1c.... |
69 | 5KA1 | Kd = 33 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
70 | 2BGE | ic50 = 1608 uM | T2D | C8 H8 N2 O3 S | c1ccc(cc1).... |
71 | 1PXH | - | SNA | C32 H41 F4 N5 O13 P2 S | c1cc(ccc1C.... |
72 | 2QBP | Ki = 0.004 uM | 527 | C25 H25 Br N2 O7 S2 | c1ccc(cc1).... |
73 | 1Q6M | ic50 = 0.013 uM | P27 | C29 H23 F6 N3 O6 P2 | c1ccc2c(c1.... |
74 | 2VEW | ic50 = 64 nM | IZ3 | C27 H22 F2 N4 O5 S2 | c1ccc(c(c1.... |
75 | 2B07 | Ki = 0.37 uM | 598 | C25 H24 N2 O7 S3 | c1ccc(cc1).... |
76 | 3I7Z | - | ASP ALA ASP GLU TYR LEU | n/a | n/a |
77 | 1EEN | - | ALA ASP PBF PTR LEU ILE PRO | n/a | n/a |
78 | 1LQF | - | BGD | C32 H34 F4 N4 O12 P2 | c1ccc(cc1).... |
79 | 2BGD | ic50 = 2.47 uM | T1D | C15 H14 N2 O4 S | COc1ccc(cc.... |
80 | 1T49 | ic50 = 22 uM | 892 | C23 H18 Br2 N2 O7 S2 | CCc1c(c2cc.... |
81 | 2NTA | Ki = 16 uM | 521 | C12 H9 Cl N2 O3 S2 | c1ccc(cc1).... |
82 | 1NWL | - | 964 | C19 H27 N5 O5 S2 | CC(=O)NCCS.... |
83 | 2VEY | ic50 = 43 nM | IZ5 | C29 H29 F N4 O5 S2 | c1ccc(cc1).... |
84 | 5KA7 | Kd = 45 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
85 | 2FJM | ic50 = 142 nM | 073 | C32 H28 F2 N3 O5 P | COC(=O)c1c.... |
86 | 1GFY | - | COL | C10 H9 N O5 S2 | C1CSCc2c1c.... |
87 | 1NZ7 | - | 901 | C32 H40 N4 O10 S | CCc1cc(ccc.... |
88 | 3CWE | ic50 = 0.12 uM | 825 | C22 H18 Br F2 O4 P | c1ccc(cc1).... |
89 | 2CNG | ic50 = 110 nM | IZE | C21 H16 F6 N4 O4 S | c1cc(ccc1C.... |
90 | 2CM8 | ic50 = 1350 nM | F16 | C9 H7 N O4 S | c1cc(cc(c1.... |
91 | 1BZJ | Ki = 22 uM | PIC | C12 H9 F2 O5 P | c1cc(cc2c1.... |
92 | 2F6W | - | UN3 | C10 H11 N3 O3 S | Cn1c(cc(n1.... |
93 | 1NO6 | - | 794 | C19 H13 N O5 | c1ccc2c(c1.... |
94 | 1C84 | Ki = 9.9 uM | 761 | C13 H9 N O5 | c1ccc2cc(c.... |
95 | 5KA9 | Kd = 39 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 1L8G | - | DBD | C18 H14 N2 O9 S2 | c1ccc2c(c1.... |
2 | 2CNI | ic50 = 21 nM | IZF | C31 H34 Cl N3 O10 S2 | COC(=O)c1c.... |
3 | 2F6Y | ic50 = 134.8 uM | ENT | C16 H23 N3 O6 S | CC(C)(C)OC.... |
4 | 2F6T | Ki = 24 uM | 1C2 | C16 H23 N3 O6 S | CC(C)(C)OC.... |
5 | 1NL9 | - | 989 | C29 H31 N3 O7 | CCCCCNC(=O.... |
6 | 2CM7 | ic50 = 210 nM | IZD | C23 H26 N4 O6 S | CC(=O)N[C@.... |
7 | 1C83 | Ki = 14 uM | OAI | C11 H8 N2 O5 | c1c[nH]c2c.... |
8 | 2AZR | Ki = 230 uM | 982 | C10 H7 N O5 S | c1cc2c(c(s.... |
9 | 1PH0 | - | 418 | C34 H35 N3 O12 | COC(=O)c1c.... |
10 | 1Q6N | ic50 = 0.023 uM | P90 | C31 H25 F2 N4 O3 P S | c1ccc(cc1).... |
11 | 1Q6S | ic50 = 12 nM | 214 | C38 H32 F2 N4 O6 P2 | Cc1ccc2cc(.... |
12 | 1KAK | ic50 = 26 uM | FNP | C12 H10 F4 O6 P2 | c1cc(cc2c1.... |
13 | 2HB1 | Ki = 160 uM | 512 | C7 H5 Br O5 S | c1c(c(c(s1.... |
14 | 1PTV | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
15 | 1BZH | Ki = 0.17 uM | ASP ALA ASP GLU FLT LEU AEA | n/a | n/a |
16 | 2CNE | ic50 = 1.7 nM | DFJ | C28 H29 F4 N3 O9 P2 | c1ccc(cc1).... |
17 | 1XBO | Ki = 0.92 uM | IX1 | C22 H19 N O8 | COC(=O)c1c.... |
18 | 2F6Z | ic50 = 4.8 uM | UN5 | C20 H24 N4 O8 S2 | CNC(=O)[C@.... |
19 | 2CMA | ic50 = 185 nM | F20 | C28 H28 N4 O6 S | c1ccc(cc1).... |
20 | 1PTY | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
21 | 1C88 | Ki = 5.1 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
22 | 1ECV | Ki = 14 uM | 878 | C9 H6 I N O5 | c1cc(c(cc1.... |
23 | 2F6V | ic50 = 37 uM | SK2 | C19 H21 N3 O6 S | CNC(=O)[C@.... |
24 | 2CNF | ic50 = 240 nM | F32 | C25 H21 N5 O3 S2 | c1ccc2c(c1.... |
25 | 1ONZ | - | 968 | C19 H13 N O6 | c1ccc(c(c1.... |
26 | 2QBS | Ki = 0.21 uM | 024 | C19 H20 Br N O5 S | c1cc(cc(c1.... |
27 | 2VEV | ic50 = 300 nM | IZ2 | C28 H25 F3 N4 O5 S2 | c1ccc(cc1).... |
28 | 4Y14 | Ki = 40 nM | C0A | C12 H16 Br F2 N2 O6 P S | CNC(=O)[C@.... |
29 | 1ONY | - | 588 | C27 H32 N4 O9 S | CCCCCNC(=O.... |
30 | 1NNY | - | 515 | C40 H37 N3 O10 | CC(=O)N[C@.... |
31 | 2ZN7 | Ki = 13 nM | 410 | C26 H24 Br N O6 S | c1ccc(cc1).... |
32 | 2VEU | ic50 = 100 nM | IZ1 | C27 H23 F3 N4 O5 S2 | c1ccc(cc1).... |
33 | 1JF7 | - | TBH | C31 H47 N3 O9 | CCCCCN[C@@.... |
34 | 5KAD | Kd = 37 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
35 | 5KA3 | Kd = 26 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
36 | 3EAX | Ki = 12 uM | LZP | C38 H34 N2 O8 | c1ccc(cc1).... |
37 | 1QXK | Ki = 9 uM | 429 | C25 H30 N2 O10 | CC(=O)N[C@.... |
38 | 2QBR | Ki = 0.47 uM | 910 | C20 H16 Br N O5 S | c1ccc(cc1).... |
39 | 1T48 | ic50 = 350 uM | BB3 | C19 H17 Br2 N O5 S | CCc1c(c2cc.... |
40 | 1PYN | Ki = 3.2 uM | 941 | C29 H36 N2 O12 | CC(C)(C)OC.... |
41 | 2FJN | ic50 = 39 nM | 073 | C32 H28 F2 N3 O5 P | COC(=O)c1c.... |
42 | 2F71 | ic50 = 2.5 uM | UN7 | C21 H23 N3 O7 S | CNC(=O)[C@.... |
43 | 1Q6P | ic50 = 3 nM | 213 | C34 H29 F2 N3 O6 P2 | c1ccc(cc1).... |
44 | 1WAX | ic50 = 86 uM | LO1 | C9 H10 N2 O3 | c1cc(ccc1C.... |
45 | 2CNH | ic50 = 59 nM | IZB | C27 H27 N5 O6 S2 | CN1CCOc2c1.... |
46 | 1Q6T | ic50 = 5 nM | 600 | C43 H42 F2 N4 O7 P2 | CC(C)C[C@@.... |
47 | 2VEX | ic50 = 130 nM | IZ4 | C28 H29 F N4 O5 S2 | c1ccc(cc1).... |
48 | 1Q6J | ic50 = 0.016 uM | 335 | C29 H25 F4 N3 O6 P2 | c1ccc(cc1).... |
49 | 3EB1 | Ki = 16.3 uM | LZQ | C24 H21 N O4 | c1ccc(cc1).... |
50 | 1G7F | Ki = 3.4 uM | INZ | C27 H33 N3 O9 | CCCCCNC(=O.... |
51 | 2ZMM | Ki = 25 nM | 35B | C21 H23 Br N2 O6 S | CNC(=O)N(c.... |
52 | 1AAX | - | BPM | C13 H14 O8 P2 | c1cc(ccc1C.... |
53 | 1BZC | Ki = 12 uM | TPI | C17 H17 F2 N2 O7 P | c1cc(cc2c1.... |
54 | 2QBQ | Ki = 0.036 uM | 4B3 | C23 H28 Br N O5 S | CC1(CC(CC(.... |
55 | 5K9W | Kd = 26 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
56 | 6B8Z | - | FRJ | C26 H19 Br2 N3 O7 S3 | CCc1c(c2cc.... |
57 | 2CMC | ic50 = 1750 nM | DFM | C21 H24 F2 N3 O6 P | CC(=O)N[C@.... |
58 | 2CMB | ic50 = 65 nM | F17 | C32 H29 N5 O9 S2 | c1ccc(cc1).... |
59 | 2F70 | ic50 = 33.5 uM | UN6 | C16 H19 N3 O7 S2 | c1cc(cc(c1.... |
60 | 1KAV | Ki = 1.5 uM | FEP | C18 H20 F4 O6 P2 | c1cc(ccc1C.... |
61 | 2NT7 | Ki = 0.3 uM | 902 | C25 H25 Br N6 O5 S2 | c1ccc(cc1).... |
62 | 1C87 | Ki = 63 uM | OPA | C10 H9 N O6 S | C1COCc2c1c.... |
63 | 5KAB | - | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
64 | 2H4K | Ki = 3.2 uM | 509 | C13 H9 Br O5 S | c1ccc(cc1).... |
65 | 1G7G | Ki = 0.25 uM | INX | C30 H37 N3 O10 | CCCCCNC(=O.... |
66 | 5T19 | - | 73U | C16 H17 N3 O3 S | Cc1ccc(cc1.... |
67 | 1C86 | Ki = 20 uM | OPA | C10 H9 N O6 S | C1COCc2c1c.... |
68 | 2H4G | Ki = 0.3 uM | 694 | C13 H9 Br O6 S | c1cc(ccc1c.... |
69 | 5KA1 | Kd = 33 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
70 | 2BGE | ic50 = 1608 uM | T2D | C8 H8 N2 O3 S | c1ccc(cc1).... |
71 | 1PXH | - | SNA | C32 H41 F4 N5 O13 P2 S | c1cc(ccc1C.... |
72 | 2QBP | Ki = 0.004 uM | 527 | C25 H25 Br N2 O7 S2 | c1ccc(cc1).... |
73 | 1Q6M | ic50 = 0.013 uM | P27 | C29 H23 F6 N3 O6 P2 | c1ccc2c(c1.... |
74 | 2VEW | ic50 = 64 nM | IZ3 | C27 H22 F2 N4 O5 S2 | c1ccc(c(c1.... |
75 | 2B07 | Ki = 0.37 uM | 598 | C25 H24 N2 O7 S3 | c1ccc(cc1).... |
76 | 3I7Z | - | ASP ALA ASP GLU TYR LEU | n/a | n/a |
77 | 1EEN | - | ALA ASP PBF PTR LEU ILE PRO | n/a | n/a |
78 | 1LQF | - | BGD | C32 H34 F4 N4 O12 P2 | c1ccc(cc1).... |
79 | 2BGD | ic50 = 2.47 uM | T1D | C15 H14 N2 O4 S | COc1ccc(cc.... |
80 | 1T49 | ic50 = 22 uM | 892 | C23 H18 Br2 N2 O7 S2 | CCc1c(c2cc.... |
81 | 2NTA | Ki = 16 uM | 521 | C12 H9 Cl N2 O3 S2 | c1ccc(cc1).... |
82 | 1NWL | - | 964 | C19 H27 N5 O5 S2 | CC(=O)NCCS.... |
83 | 2VEY | ic50 = 43 nM | IZ5 | C29 H29 F N4 O5 S2 | c1ccc(cc1).... |
84 | 5KA7 | Kd = 45 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
85 | 2FJM | ic50 = 142 nM | 073 | C32 H28 F2 N3 O5 P | COC(=O)c1c.... |
86 | 1GFY | - | COL | C10 H9 N O5 S2 | C1CSCc2c1c.... |
87 | 1NZ7 | - | 901 | C32 H40 N4 O10 S | CCc1cc(ccc.... |
88 | 3CWE | ic50 = 0.12 uM | 825 | C22 H18 Br F2 O4 P | c1ccc(cc1).... |
89 | 2CNG | ic50 = 110 nM | IZE | C21 H16 F6 N4 O4 S | c1cc(ccc1C.... |
90 | 2CM8 | ic50 = 1350 nM | F16 | C9 H7 N O4 S | c1cc(cc(c1.... |
91 | 1BZJ | Ki = 22 uM | PIC | C12 H9 F2 O5 P | c1cc(cc2c1.... |
92 | 2F6W | - | UN3 | C10 H11 N3 O3 S | Cn1c(cc(n1.... |
93 | 1NO6 | - | 794 | C19 H13 N O5 | c1ccc2c(c1.... |
94 | 1C84 | Ki = 9.9 uM | 761 | C13 H9 N O5 | c1ccc2cc(c.... |
95 | 5KA9 | Kd = 39 uM | OTA | C10 H10 N2 O5 S | C1CNCc2c1c.... |
96 | 4GE6 | Ki = 34 nM | B26 | C42 H45 Br F2 I N6 O11 P | Cc1cc(ccc1.... |
97 | 4GE5 | ic50 = 0.27 uM | A89 | C30 H31 Br F2 I N4 O7 P | Cc1cc(ccc1.... |
98 | 4GE2 | ic50 = 0.9 uM | 75A | C24 H28 F2 I N4 O7 P | CC(=O)N[C@.... |
99 | 3D44 | - | LEU ASP GLU PTR VAL ALA THR ARG | n/a | n/a |
100 | 3D42 | - | LEU THR GLU PTR VAL ALA THR ARG | n/a | n/a |
101 | 3O5X | ic50 = 5.5 uM | JZG | C33 H27 N5 O4 | Cn1c2cc(c(.... |
102 | 4RDD | ic50 = 16.8 uM | 3LU | C21 H22 N3 O8 S2 | c1ccc(cc1).... |
103 | 4RH5 | Kd = 127.3 nM | PHE SER ALA PTR PRO SER GLU GLU ASP | n/a | n/a |
104 | 6BMU | - | DZV | C23 H17 Cl N4 O3 | COc1cccc(c.... |
105 | 6BMX | - | DYV | C29 H24 Cl N5 O6 | COc1cccc(c.... |
106 | 6MDD | ic50 = 47 uM | JE7 | C12 H8 Cl2 N4 S | c1cc(c(c(c.... |
107 | 6BMV | - | DZS | C23 H15 Cl N4 O4 | c1ccc(c(c1.... |
108 | 6MD9 | - | JEJ | C22 H20 Cl N3 O2 | CN1C(=Cc2c.... |
109 | 6BN5 | - | DZJ | C17 H11 Cl N2 O2 S | c1ccc(cc1).... |
110 | 6BMY | - | DYV | C29 H24 Cl N5 O6 | COc1cccc(c.... |
111 | 6MDC | ic50 = 0.036 uM | JEA | C23 H29 Cl N8 O2 | C[C@H]1[C@.... |
112 | 5EHR | Kd = 73 nM | 5OD | C16 H19 Cl2 N5 | CC1(CCN(CC.... |
113 | 6MD7 | ic50 = 0.181 uM | JE1 | C17 H20 F3 N5 O S | CC1(CCN(CC.... |
114 | 6BMW | - | DZS | C23 H15 Cl N4 O4 | c1ccc(c(c1.... |
115 | 6BMR | - | DZV | C23 H17 Cl N4 O3 | COc1cccc(c.... |
116 | 6CMR | - | 5OD | C16 H19 Cl2 N5 | CC1(CCN(CC.... |
117 | 6MDA | - | JED | C20 H14 Br N3 O2 | Cc1ccc(cc1.... |
118 | 7JVN | ic50 = 0.029 uM | VKP | C16 H19 Cl2 N5 S | CC1(CCN(CC.... |
119 | 6MDB | ic50 = 0.064 uM | JE4 | C18 H20 Cl2 N6 O | CC1(CCN(CC.... |
120 | 5EHP | ic50 = 12 uM | 5OA | C16 H19 Cl2 N5 | C[C@@H]1CN.... |
121 | 7JVM | ic50 = 0.011 uM | VKS | C18 H24 Cl N7 O S | C[C@H]1[C@.... |
122 | 3QCH | ic50 = 3.3 uM | NX2 | C13 H11 Cl2 N O3 S3 | CS(=O)(=O).... |
123 | 3QCI | ic50 = 3.8 uM | NX3 | C18 H14 Cl2 N2 O3 S3 | c1cc(cc(c1.... |
124 | 3QCJ | ic50 = 0.5 uM | NX4 | C20 H15 Cl2 N O6 S3 | COc1ccc(cc.... |
125 | 3QCL | ic50 = 4 uM | NXV | C18 H14 Cl2 O3 S | c1cc(c(cc1.... |
126 | 3QCE | Ki = 2.5 uM | NXY | C12 H8 Cl2 O2 S2 | c1cc(c(cc1.... |
127 | 3QCM | - | NXW | C27 H25 Cl2 N3 O3 S | CNCCNCC(=O.... |
128 | 3QCF | Ki = 2.5 uM | NXY | C12 H8 Cl2 O2 S2 | c1cc(c(cc1.... |
129 | 3QCG | - | NX1 | C12 H8 Br Cl O2 S2 | c1cc(c(cc1.... |
130 | 3QCK | ic50 = 5.8 uM | NX5 | C14 H10 Cl2 O2 S | c1ccc(c(c1.... |
131 | 5OVX | Kd = 31.4 uM | AY5 | C20 H17 Cl2 O5 P | c1cc(cc(c1.... |
132 | 6H8R | - | FWB | C10 H12 F3 N O | C[C@@H](Cc.... |
133 | 5OW1 | Kd = 70.4 uM | AY8 | C19 H21 F2 O4 P | c1cc(cc(c1.... |
134 | 4J51 | ic50 = 0.259 uM | N75 | C28 H20 Cl N O6 | c1cc(cc(c1.... |
135 | 2I5X | - | UA5 | C8 H11 N O3 S | CCc1ccc(cc.... |
136 | 2I4H | - | UA1 | C24 H32 N4 O8 S | CC(C)(C)OC.... |
137 | 2H02 | ic50 = 0.32 uM | 2UN | C19 H21 N O7 S | COC(=O)C(C.... |
138 | 2I4G | - | UA1 | C24 H32 N4 O8 S | CC(C)(C)OC.... |
139 | 2H04 | ic50 = 0.07 uM | 4UN | C21 H21 N5 O5 S | Cc1nc(no1).... |
140 | 2H03 | ic50 = 0.09 uM | 3UN | C21 H32 N2 O9 S | CCOC(=O)C(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IS2 | 0.9522 |
2 | HNT | 0.9511 |
3 | 6SD | 0.9502 |
4 | 2QC | 0.9478 |
5 | HC4 | 0.9476 |
6 | JAH | 0.9452 |
7 | P81 | 0.9450 |
8 | TYR | 0.9443 |
9 | QIV | 0.9411 |
10 | 80G | 0.9396 |
11 | ENO | 0.9396 |
12 | NY4 | 0.9393 |
13 | E3X | 0.9376 |
14 | SWX | 0.9370 |
15 | F4K | 0.9335 |
16 | JA5 | 0.9317 |
17 | 6P3 | 0.9301 |
18 | TYC | 0.9300 |
19 | N4E | 0.9298 |
20 | 5TT | 0.9286 |
21 | VC3 | 0.9275 |
22 | JBZ | 0.9272 |
23 | 0UL | 0.9271 |
24 | XCG | 0.9269 |
25 | KLS | 0.9260 |
26 | RA7 | 0.9255 |
27 | 3VS | 0.9252 |
28 | 4I8 | 0.9246 |
29 | 3ZB | 0.9246 |
30 | 9NB | 0.9243 |
31 | 1EB | 0.9235 |
32 | 5O6 | 0.9235 |
33 | DAH | 0.9230 |
34 | EN1 | 0.9223 |
35 | GVY | 0.9220 |
36 | OQC | 0.9218 |
37 | LR8 | 0.9210 |
38 | S0D | 0.9208 |
39 | GB5 | 0.9196 |
40 | 5OO | 0.9195 |
41 | UNJ | 0.9186 |
42 | 36Y | 0.9180 |
43 | 4FE | 0.9172 |
44 | 2PV | 0.9170 |
45 | 4HB | 0.9169 |
46 | 2PK | 0.9169 |
47 | CPZ | 0.9168 |
48 | JCZ | 0.9161 |
49 | 5LA | 0.9155 |
50 | A5E | 0.9152 |
51 | FMQ | 0.9151 |
52 | TYE | 0.9144 |
53 | EZL | 0.9142 |
54 | TMG | 0.9132 |
55 | Y3L | 0.9123 |
56 | PPY | 0.9118 |
57 | G14 | 0.9116 |
58 | K3D | 0.9115 |
59 | FZM | 0.9113 |
60 | 363 | 0.9112 |
61 | L15 | 0.9110 |
62 | X48 | 0.9109 |
63 | 3VQ | 0.9107 |
64 | 0NX | 0.9106 |
65 | M4N | 0.9101 |
66 | 6FB | 0.9100 |
67 | DTY | 0.9094 |
68 | A5Q | 0.9094 |
69 | 7FU | 0.9093 |
70 | SNU | 0.9089 |
71 | 4BF | 0.9088 |
72 | K4V | 0.9087 |
73 | 4CF | 0.9087 |
74 | PFF | 0.9087 |
75 | B1J | 0.9086 |
76 | C82 | 0.9085 |
77 | MSR | 0.9081 |
78 | A98 | 0.9077 |
79 | TID | 0.9071 |
80 | K7H | 0.9066 |
81 | JGB | 0.9064 |
82 | 657 | 0.9064 |
83 | S7S | 0.9064 |
84 | 4BY | 0.9062 |
85 | 1A5 | 0.9061 |
86 | PH3 | 0.9061 |
87 | 7N8 | 0.9058 |
88 | 4LW | 0.9058 |
89 | 8D6 | 0.9054 |
90 | NDD | 0.9053 |
91 | ZZA | 0.9053 |
92 | BP7 | 0.9050 |
93 | C1M | 0.9049 |
94 | 492 | 0.9049 |
95 | AJG | 0.9046 |
96 | PHI | 0.9046 |
97 | OLU | 0.9044 |
98 | 6MW | 0.9043 |
99 | ZEC | 0.9043 |
100 | RES | 0.9037 |
101 | 92G | 0.9035 |
102 | ODK | 0.9035 |
103 | D9Z | 0.9034 |
104 | 8NB | 0.9033 |
105 | GB4 | 0.9029 |
106 | KLE | 0.9024 |
107 | J6W | 0.9023 |
108 | 8V8 | 0.9016 |
109 | 88L | 0.9015 |
110 | DHC | 0.9014 |
111 | GO2 | 0.9010 |
112 | 6KT | 0.9008 |
113 | 2FX | 0.9008 |
114 | 6FG | 0.9008 |
115 | TZF | 0.9006 |
116 | X0U | 0.9003 |
117 | IYR | 0.8998 |
118 | A7H | 0.8997 |
119 | S0W | 0.8991 |
120 | 2D2 | 0.8990 |
121 | G1L | 0.8989 |
122 | 613 | 0.8989 |
123 | L03 | 0.8986 |
124 | I3E | 0.8984 |
125 | HX4 | 0.8983 |
126 | NK5 | 0.8983 |
127 | K82 | 0.8979 |
128 | QBP | 0.8978 |
129 | EE8 | 0.8978 |
130 | PRL | 0.8972 |
131 | 7MW | 0.8971 |
132 | TYL | 0.8971 |
133 | 2P3 | 0.8970 |
134 | HPP | 0.8968 |
135 | 9R5 | 0.8965 |
136 | VGS | 0.8964 |
137 | 5TO | 0.8956 |
138 | 5VU | 0.8956 |
139 | ERZ | 0.8956 |
140 | 7O4 | 0.8953 |
141 | CXH | 0.8949 |
142 | A9B | 0.8949 |
143 | BVA | 0.8940 |
144 | 5H6 | 0.8939 |
145 | 1FE | 0.8939 |
146 | NFZ | 0.8937 |
147 | AES | 0.8933 |
148 | 4BX | 0.8925 |
149 | D2G | 0.8925 |
150 | RSV | 0.8923 |
151 | F4E | 0.8920 |
152 | M28 | 0.8920 |
153 | PIQ | 0.8920 |
154 | UA5 | 0.8918 |
155 | 833 | 0.8917 |
156 | C53 | 0.8917 |
157 | 5TY | 0.8916 |
158 | 5RP | 0.8912 |
159 | 27K | 0.8908 |
160 | VFM | 0.8907 |
161 | 4BL | 0.8906 |
162 | 4FC | 0.8904 |
163 | 2K8 | 0.8900 |
164 | AJ1 | 0.8899 |
165 | ALE | 0.8897 |
166 | RYV | 0.8897 |
167 | EUE | 0.8895 |
168 | SNV | 0.8894 |
169 | 2J1 | 0.8894 |
170 | 1XS | 0.8885 |
171 | BX4 | 0.8879 |
172 | 4FF | 0.8871 |
173 | A6W | 0.8871 |
174 | R5P | 0.8865 |
175 | R52 | 0.8865 |
176 | 4CN | 0.8862 |
177 | I2E | 0.8861 |
178 | KMY | 0.8861 |
179 | 78Y | 0.8860 |
180 | PTB | 0.8860 |
181 | 795 | 0.8859 |
182 | 0SY | 0.8859 |
183 | GZ2 | 0.8856 |
184 | C4E | 0.8850 |
185 | 397 | 0.8849 |
186 | PNP | 0.8848 |
187 | M78 | 0.8848 |
188 | EQW | 0.8846 |
189 | HRM | 0.8846 |
190 | J1K | 0.8844 |
191 | S0E | 0.8844 |
192 | P9E | 0.8843 |
193 | 5GV | 0.8842 |
194 | TCA | 0.8841 |
195 | HHS | 0.8841 |
196 | AWE | 0.8840 |
197 | RCV | 0.8837 |
198 | 3R4 | 0.8834 |
199 | YE6 | 0.8834 |
200 | ENW | 0.8830 |
201 | NPS | 0.8829 |
202 | CFA | 0.8829 |
203 | 54E | 0.8828 |
204 | AN3 | 0.8827 |
205 | 6C5 | 0.8825 |
206 | CX6 | 0.8822 |
207 | SJK | 0.8821 |
208 | 3W8 | 0.8820 |
209 | BIH | 0.8817 |
210 | IPO | 0.8814 |
211 | 1Z6 | 0.8813 |
212 | BGU | 0.8813 |
213 | TRP | 0.8812 |
214 | FHV | 0.8811 |
215 | ZRK | 0.8810 |
216 | LL1 | 0.8807 |
217 | 0BP | 0.8806 |
218 | DEZ | 0.8805 |
219 | CK2 | 0.8803 |
220 | 68A | 0.8802 |
221 | 4NP | 0.8801 |
222 | 64Z | 0.8800 |
223 | E4P | 0.8800 |
224 | ITE | 0.8796 |
225 | 0FR | 0.8796 |
226 | 6C4 | 0.8794 |
227 | 0K7 | 0.8794 |
228 | H4B | 0.8793 |
229 | PLP | 0.8790 |
230 | GWM | 0.8789 |
231 | N91 | 0.8789 |
232 | 7AP | 0.8784 |
233 | WV7 | 0.8784 |
234 | 20N | 0.8783 |
235 | DDU | 0.8782 |
236 | DPN | 0.8782 |
237 | BNL | 0.8780 |
238 | P4T | 0.8779 |
239 | LZ5 | 0.8777 |
240 | 2WU | 0.8776 |
241 | A6Z | 0.8776 |
242 | P80 | 0.8776 |
243 | 6CL | 0.8774 |
244 | 5E5 | 0.8773 |
245 | 28A | 0.8772 |
246 | 549 | 0.8771 |
247 | 8CC | 0.8771 |
248 | 7KE | 0.8769 |
249 | U13 | 0.8768 |
250 | KTJ | 0.8767 |
251 | IOP | 0.8765 |
252 | 4MB | 0.8765 |
253 | MD6 | 0.8762 |
254 | NAG | 0.8762 |
255 | 4LV | 0.8762 |
256 | A7N | 0.8761 |
257 | ESX | 0.8758 |
258 | 3VX | 0.8758 |
259 | ZHA | 0.8757 |
260 | 72D | 0.8757 |
261 | 3W6 | 0.8757 |
262 | 7VP | 0.8757 |
263 | 3W3 | 0.8755 |
264 | FER | 0.8754 |
265 | CHQ | 0.8753 |
266 | RNO | 0.8753 |
267 | MP5 | 0.8753 |
268 | SNO | 0.8752 |
269 | 0F3 | 0.8751 |
270 | 2B4 | 0.8750 |
271 | A5H | 0.8745 |
272 | CTE | 0.8743 |
273 | PH2 | 0.8739 |
274 | LWA | 0.8736 |
275 | A5P | 0.8735 |
276 | FF2 | 0.8733 |
277 | 2HC | 0.8733 |
278 | XIZ | 0.8732 |
279 | PO6 | 0.8731 |
280 | 2JX | 0.8729 |
281 | DVQ | 0.8728 |
282 | 1PS | 0.8725 |
283 | P4L | 0.8724 |
284 | 8XL | 0.8721 |
285 | BVS | 0.8721 |
286 | JMG | 0.8720 |
287 | VFG | 0.8713 |
288 | 4V2 | 0.8709 |
289 | FHC | 0.8709 |
290 | 3SU | 0.8709 |
291 | 0OO | 0.8708 |
292 | FQX | 0.8706 |
293 | ESP | 0.8705 |
294 | BZ2 | 0.8701 |
295 | 4Z9 | 0.8701 |
296 | GOE | 0.8700 |
297 | ARG | 0.8700 |
298 | FMH | 0.8698 |
299 | PHE | 0.8697 |
300 | HBI | 0.8696 |
301 | IWT | 0.8696 |
302 | EVF | 0.8695 |
303 | ICB | 0.8695 |
304 | 0JD | 0.8694 |
305 | MKN | 0.8692 |
306 | RYY | 0.8690 |
307 | 3QV | 0.8689 |
308 | 2BX | 0.8685 |
309 | NPX | 0.8683 |
310 | 2O8 | 0.8682 |
311 | 1BW | 0.8682 |
312 | II4 | 0.8681 |
313 | AZM | 0.8680 |
314 | 4UM | 0.8679 |
315 | E1T | 0.8678 |
316 | SLS | 0.8676 |
317 | YZ9 | 0.8675 |
318 | P7Y | 0.8673 |
319 | L22 | 0.8672 |
320 | STX | 0.8668 |
321 | OHJ | 0.8667 |
322 | PUE | 0.8666 |
323 | S0A | 0.8666 |
324 | KYN | 0.8663 |
325 | 5SP | 0.8662 |
326 | HDH | 0.8661 |
327 | 4JE | 0.8657 |
328 | HNK | 0.8652 |
329 | F02 | 0.8652 |
330 | 5TZ | 0.8652 |
331 | YI6 | 0.8647 |
332 | KWV | 0.8644 |
333 | MMJ | 0.8644 |
334 | 4YO | 0.8643 |
335 | M4E | 0.8638 |
336 | 6C9 | 0.8638 |
337 | A51 | 0.8637 |
338 | 4NS | 0.8637 |
339 | S60 | 0.8636 |
340 | 5SJ | 0.8634 |
341 | 1X4 | 0.8633 |
342 | 50C | 0.8633 |
343 | SQG | 0.8631 |
344 | LVD | 0.8630 |
345 | AVX | 0.8628 |
346 | RKN | 0.8625 |
347 | F18 | 0.8625 |
348 | HCI | 0.8621 |
349 | 9ZE | 0.8619 |
350 | D3G | 0.8618 |
351 | 2GQ | 0.8615 |
352 | S98 | 0.8614 |
353 | 36E | 0.8611 |
354 | FCD | 0.8609 |
355 | SKF | 0.8606 |
356 | 1A7 | 0.8604 |
357 | 68B | 0.8599 |
358 | SYD | 0.8596 |
359 | ZYX | 0.8595 |
360 | GJK | 0.8595 |
361 | HWD | 0.8595 |
362 | K97 | 0.8593 |
363 | 1F1 | 0.8592 |
364 | HHR | 0.8592 |
365 | MPV | 0.8591 |
366 | AMR | 0.8591 |
367 | PJW | 0.8591 |
368 | BIO | 0.8588 |
369 | 344 | 0.8587 |
370 | 7EH | 0.8579 |
371 | LGT | 0.8577 |
372 | GO8 | 0.8575 |
373 | FYR | 0.8572 |
374 | 4AB | 0.8561 |
375 | G6P | 0.8561 |
376 | 6FZ | 0.8557 |
377 | D8Q | 0.8555 |
378 | IAR | 0.8550 |
379 | PIM | 0.8550 |
380 | H2B | 0.8549 |
381 | PMP | 0.8549 |
382 | 47V | 0.8548 |
383 | PQM | 0.8541 |
384 | JAW | 0.8541 |
385 | J38 | 0.8536 |
386 | 4G2 | 0.8536 |
387 | 6J5 | 0.8528 |
388 | 0HN | 0.8528 |
389 | 4NZ | 0.8525 |
390 | 4JQ | 0.8514 |
391 | 49P | 0.8514 |
392 | HBO | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 2cne.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |