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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 | TT4 | 0.9598 |
2 | 7QS | 0.9480 |
3 | R20 | 0.9464 |
4 | 7Q1 | 0.9426 |
5 | 7UZ | 0.9420 |
6 | B2Y | 0.9410 |
7 | F16 | 0.9410 |
8 | L5V | 0.9390 |
9 | 791 | 0.9375 |
10 | CH9 | 0.9365 |
11 | HQJ | 0.9363 |
12 | AVI | 0.9338 |
13 | NCT | 0.9315 |
14 | SQP | 0.9305 |
15 | 61O | 0.9297 |
16 | K3Y | 0.9295 |
17 | 1A7 | 0.9286 |
18 | 2F6 | 0.9284 |
19 | BPY | 0.9279 |
20 | 7VP | 0.9258 |
21 | 3CR | 0.9245 |
22 | W29 | 0.9241 |
23 | PJW | 0.9240 |
24 | BNL | 0.9226 |
25 | JRB | 0.9207 |
26 | 2B4 | 0.9203 |
27 | F69 | 0.9194 |
28 | HX4 | 0.9188 |
29 | A29 | 0.9186 |
30 | 0F9 | 0.9181 |
31 | XDK | 0.9178 |
32 | 46P | 0.9175 |
33 | 79W | 0.9172 |
34 | CK2 | 0.9156 |
35 | BPS | 0.9153 |
36 | 1Z8 | 0.9151 |
37 | K80 | 0.9147 |
38 | 9W5 | 0.9147 |
39 | BZE | 0.9145 |
40 | 1Z6 | 0.9134 |
41 | HNL | 0.9127 |
42 | 6HX | 0.9124 |
43 | AVJ | 0.9124 |
44 | ONR | 0.9119 |
45 | GVG | 0.9116 |
46 | 5VL | 0.9115 |
47 | PPY | 0.9113 |
48 | 92G | 0.9106 |
49 | J9N | 0.9105 |
50 | MPV | 0.9102 |
51 | HNH | 0.9100 |
52 | 363 | 0.9096 |
53 | 8NX | 0.9091 |
54 | D3G | 0.9090 |
55 | ING | 0.9087 |
56 | MOK | 0.9083 |
57 | ACE PHE | 0.9081 |
58 | 1L5 | 0.9078 |
59 | 52C | 0.9075 |
60 | 0NX | 0.9073 |
61 | 6J9 | 0.9073 |
62 | Z5P | 0.9070 |
63 | JF6 | 0.9063 |
64 | CIT | 0.9062 |
65 | BP3 | 0.9059 |
66 | VM1 | 0.9058 |
67 | KJM | 0.9055 |
68 | B4O | 0.9052 |
69 | NZ3 | 0.9050 |
70 | M1Z | 0.9044 |
71 | HNK | 0.9043 |
72 | 9UL | 0.9039 |
73 | BCK | 0.9031 |
74 | X48 | 0.9028 |
75 | X11 | 0.9021 |
76 | EN1 | 0.9021 |
77 | L13 | 0.9016 |
78 | PHE | 0.9009 |
79 | AOT | 0.9008 |
80 | OBP | 0.9006 |
81 | DC5 | 0.9003 |
82 | R2P | 0.9003 |
83 | 1WC | 0.8998 |
84 | BZS | 0.8993 |
85 | 1CY | 0.8993 |
86 | P7Y | 0.8991 |
87 | HJ7 | 0.8989 |
88 | LL1 | 0.8984 |
89 | 7QD | 0.8982 |
90 | QUS | 0.8981 |
91 | M5H | 0.8980 |
92 | SV4 | 0.8978 |
93 | 49O | 0.8978 |
94 | HJH | 0.8967 |
95 | PIM | 0.8964 |
96 | RUY | 0.8962 |
97 | DI6 | 0.8959 |
98 | 069 | 0.8955 |
99 | ENO | 0.8952 |
100 | S2P | 0.8947 |
101 | 0A9 | 0.8940 |
102 | CP7 | 0.8933 |
103 | G14 | 0.8927 |
104 | E0O | 0.8927 |
105 | NZ2 | 0.8926 |
106 | 977 | 0.8924 |
107 | N3W | 0.8921 |
108 | 256 | 0.8920 |
109 | AVO | 0.8919 |
110 | 492 | 0.8916 |
111 | HF2 | 0.8916 |
112 | FLC | 0.8913 |
113 | M5E | 0.8912 |
114 | B40 | 0.8911 |
115 | MXD | 0.8909 |
116 | 1XA | 0.8907 |
117 | MPK | 0.8907 |
118 | AVA | 0.8903 |
119 | FMQ | 0.8902 |
120 | M3E | 0.8901 |
121 | L1T | 0.8899 |
122 | 4PN | 0.8895 |
123 | C53 | 0.8881 |
124 | HFA | 0.8880 |
125 | 49N | 0.8872 |
126 | HIS | 0.8871 |
127 | DPN | 0.8869 |
128 | CK1 | 0.8864 |
129 | CH8 | 0.8863 |
130 | APG | 0.8862 |
131 | GTC | 0.8861 |
132 | FTV | 0.8860 |
133 | S2T | 0.8857 |
134 | KTJ | 0.8855 |
135 | M72 | 0.8855 |
136 | TIH | 0.8853 |
137 | NFA | 0.8850 |
138 | 56D | 0.8850 |
139 | ALE | 0.8847 |
140 | 692 | 0.8846 |
141 | A5E | 0.8842 |
142 | 4LW | 0.8842 |
143 | GFE | 0.8840 |
144 | 5ZZ | 0.8840 |
145 | FHC | 0.8840 |
146 | 4FF | 0.8839 |
147 | PH3 | 0.8839 |
148 | X6P | 0.8834 |
149 | SHI | 0.8830 |
150 | RA7 | 0.8830 |
151 | ZZA | 0.8827 |
152 | DNB | 0.8827 |
153 | CPZ | 0.8823 |
154 | P80 | 0.8820 |
155 | 2AL | 0.8819 |
156 | 61M | 0.8812 |
157 | JGB | 0.8809 |
158 | FCD | 0.8806 |
159 | R9J | 0.8804 |
160 | HL4 | 0.8801 |
161 | RKV | 0.8798 |
162 | AUV | 0.8797 |
163 | OSB | 0.8797 |
164 | BTM | 0.8794 |
165 | 54F | 0.8789 |
166 | 89J | 0.8788 |
167 | MJ5 | 0.8777 |
168 | CTN | 0.8777 |
169 | TI7 | 0.8776 |
170 | 54E | 0.8774 |
171 | PUE | 0.8773 |
172 | 6MW | 0.8770 |
173 | FPL | 0.8768 |
174 | TRP | 0.8767 |
175 | DYT | 0.8766 |
176 | S0G | 0.8765 |
177 | JZA | 0.8761 |
178 | 3B4 | 0.8759 |
179 | CP6 | 0.8755 |
180 | J9Q | 0.8755 |
181 | 7O4 | 0.8755 |
182 | LFQ | 0.8754 |
183 | SAF | 0.8753 |
184 | PIR | 0.8749 |
185 | 787 | 0.8748 |
186 | SLY | 0.8748 |
187 | BP6 | 0.8746 |
188 | RIS | 0.8745 |
189 | XDE | 0.8740 |
190 | A9P | 0.8739 |
191 | K48 | 0.8736 |
192 | TYR | 0.8734 |
193 | GZ2 | 0.8730 |
194 | 6ZX | 0.8729 |
195 | 4BF | 0.8729 |
196 | AX3 | 0.8728 |
197 | URI | 0.8726 |
198 | PFF | 0.8725 |
199 | DTY | 0.8724 |
200 | B09 | 0.8724 |
201 | KYN | 0.8724 |
202 | 2HC | 0.8722 |
203 | KDG | 0.8722 |
204 | 4LV | 0.8718 |
205 | NLG | 0.8717 |
206 | XCG | 0.8716 |
207 | 97T | 0.8710 |
208 | B3U | 0.8703 |
209 | 50C | 0.8700 |
210 | 2D2 | 0.8699 |
211 | A9O | 0.8696 |
212 | THU | 0.8696 |
213 | Q03 | 0.8695 |
214 | D2G | 0.8694 |
215 | GT4 | 0.8693 |
216 | M74 | 0.8691 |
217 | WOE | 0.8690 |
218 | Q06 | 0.8690 |
219 | PQT | 0.8689 |
220 | 9FH | 0.8681 |
221 | DCZ | 0.8680 |
222 | 3GV | 0.8680 |
223 | HHH | 0.8680 |
224 | CLU | 0.8676 |
225 | CC5 | 0.8675 |
226 | DXK | 0.8673 |
227 | C0H | 0.8673 |
228 | SQV | 0.8670 |
229 | MUK | 0.8664 |
230 | 1KN | 0.8662 |
231 | LT8 | 0.8661 |
232 | K7M | 0.8660 |
233 | HIC | 0.8659 |
234 | BRH | 0.8658 |
235 | AMQ | 0.8656 |
236 | IAC | 0.8653 |
237 | ZEB | 0.8650 |
238 | A4Q | 0.8649 |
239 | C1M | 0.8642 |
240 | DHI | 0.8641 |
241 | Q4G | 0.8640 |
242 | 3TC | 0.8638 |
243 | ISA | 0.8637 |
244 | ODK | 0.8635 |
245 | 60L | 0.8634 |
246 | A8Q | 0.8633 |
247 | PIY | 0.8633 |
248 | 0OL | 0.8627 |
249 | DAH | 0.8626 |
250 | HCA | 0.8625 |
251 | 6XI | 0.8625 |
252 | C6J | 0.8619 |
253 | CFA | 0.8619 |
254 | V2Z | 0.8616 |
255 | A4T | 0.8612 |
256 | AY4 | 0.8612 |
257 | 6HO | 0.8610 |
258 | A9K | 0.8609 |
259 | 9PL | 0.8603 |
260 | KWB | 0.8600 |
261 | 2UB | 0.8595 |
262 | A4N | 0.8589 |
263 | WVV | 0.8589 |
264 | 42R | 0.8583 |
265 | 6J5 | 0.8580 |
266 | FZM | 0.8578 |
267 | JPQ | 0.8572 |
268 | 3VW | 0.8566 |
269 | BY5 | 0.8565 |
270 | TYE | 0.8563 |
271 | 3VQ | 0.8562 |
272 | XQI | 0.8559 |
273 | FWD | 0.8558 |
274 | XYH | 0.8556 |
275 | 8D6 | 0.8555 |
276 | Y4L | 0.8555 |
277 | 4G2 | 0.8548 |
278 | KF5 | 0.8543 |
279 | Q04 | 0.8540 |
280 | N2Z | 0.8533 |
281 | 60Q | 0.8524 |
282 | 3MF | 0.8512 |
283 | 4GU | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 2cne.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |