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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 | TFQ | 0.9680 |
2 | SYD | 0.9301 |
3 | TEF | 0.9248 |
4 | C5F | 0.9239 |
5 | 6DH | 0.9221 |
6 | SQG | 0.9135 |
7 | BP5 | 0.9118 |
8 | 20N | 0.9113 |
9 | M28 | 0.9057 |
10 | T11 | 0.9052 |
11 | M6R | 0.9025 |
12 | B15 | 0.9023 |
13 | HGK | 0.9021 |
14 | 0F3 | 0.9017 |
15 | 8V8 | 0.9010 |
16 | W1G | 0.9010 |
17 | BFL | 0.9007 |
18 | 3VR | 0.9005 |
19 | 9JH | 0.8967 |
20 | 1OU | 0.8956 |
21 | 72D | 0.8955 |
22 | 90M | 0.8947 |
23 | 6PG | 0.8943 |
24 | IBP | 0.8936 |
25 | 2OX | 0.8918 |
26 | EPE | 0.8916 |
27 | PV4 | 0.8912 |
28 | HDI | 0.8908 |
29 | FLP | 0.8889 |
30 | YI6 | 0.8885 |
31 | G6Q | 0.8882 |
32 | G1L | 0.8881 |
33 | NPX | 0.8875 |
34 | AJ1 | 0.8875 |
35 | S6P | 0.8874 |
36 | D25 | 0.8872 |
37 | JVD | 0.8870 |
38 | S62 | 0.8867 |
39 | 14N | 0.8862 |
40 | 2L7 | 0.8862 |
41 | TFM | 0.8857 |
42 | MKN | 0.8856 |
43 | LC1 | 0.8856 |
44 | 4CF | 0.8853 |
45 | M25 | 0.8851 |
46 | RYJ | 0.8845 |
47 | UN3 | 0.8835 |
48 | QTD | 0.8833 |
49 | DVK | 0.8832 |
50 | PPN | 0.8829 |
51 | F6R | 0.8825 |
52 | VFJ | 0.8823 |
53 | RYY | 0.8823 |
54 | EZL | 0.8822 |
55 | BX4 | 0.8819 |
56 | EUH | 0.8817 |
57 | 1OT | 0.8817 |
58 | EFR | 0.8815 |
59 | 3W3 | 0.8814 |
60 | 3W6 | 0.8814 |
61 | S45 | 0.8809 |
62 | QTK | 0.8807 |
63 | AJG | 0.8803 |
64 | J1K | 0.8802 |
65 | FCW | 0.8801 |
66 | BC5 | 0.8800 |
67 | 109 | 0.8795 |
68 | UA5 | 0.8787 |
69 | AZY | 0.8785 |
70 | G8V | 0.8783 |
71 | 1CE | 0.8780 |
72 | N4E | 0.8777 |
73 | PTB | 0.8772 |
74 | NK5 | 0.8768 |
75 | E9P | 0.8767 |
76 | 250 | 0.8766 |
77 | FQY | 0.8765 |
78 | 9F5 | 0.8763 |
79 | 613 | 0.8759 |
80 | PQM | 0.8757 |
81 | S8G | 0.8753 |
82 | 1Q1 | 0.8752 |
83 | GJG | 0.8751 |
84 | D1G | 0.8750 |
85 | L4K | 0.8738 |
86 | CT0 | 0.8733 |
87 | NPS | 0.8732 |
88 | A5K | 0.8730 |
89 | EYY | 0.8723 |
90 | A7Q | 0.8722 |
91 | F02 | 0.8720 |
92 | 5TT | 0.8716 |
93 | 9VQ | 0.8714 |
94 | 7KE | 0.8712 |
95 | AZM | 0.8710 |
96 | 657 | 0.8703 |
97 | 35K | 0.8698 |
98 | QTJ | 0.8697 |
99 | REG | 0.8697 |
100 | R10 | 0.8696 |
101 | BSV | 0.8693 |
102 | LG6 | 0.8687 |
103 | L02 | 0.8687 |
104 | AGP | 0.8677 |
105 | HHB | 0.8674 |
106 | SNV | 0.8670 |
107 | 7ZO | 0.8670 |
108 | FZ6 | 0.8670 |
109 | 52F | 0.8670 |
110 | A6Z | 0.8669 |
111 | 9X3 | 0.8668 |
112 | S8P | 0.8665 |
113 | OLU | 0.8655 |
114 | 0MB | 0.8655 |
115 | 16G | 0.8649 |
116 | NNG | 0.8646 |
117 | K97 | 0.8646 |
118 | L15 | 0.8645 |
119 | 4JE | 0.8644 |
120 | JL7 | 0.8639 |
121 | SGN | 0.8636 |
122 | QBP | 0.8636 |
123 | EZ1 | 0.8627 |
124 | OSP | 0.8624 |
125 | 2O8 | 0.8621 |
126 | 8EU | 0.8620 |
127 | 1FE | 0.8619 |
128 | 3EB | 0.8618 |
129 | 4NP | 0.8618 |
130 | RYV | 0.8616 |
131 | NFZ | 0.8615 |
132 | Q8G | 0.8609 |
133 | 651 | 0.8608 |
134 | Q8D | 0.8608 |
135 | TBJ | 0.8608 |
136 | 49P | 0.8607 |
137 | RCV | 0.8606 |
138 | T1N | 0.8601 |
139 | YZ9 | 0.8600 |
140 | 2P3 | 0.8596 |
141 | YE6 | 0.8587 |
142 | 4NS | 0.8580 |
143 | 6C5 | 0.8579 |
144 | S0J | 0.8578 |
145 | 6FG | 0.8576 |
146 | VD9 | 0.8573 |
147 | 4UM | 0.8557 |
148 | NG6 | 0.8553 |
149 | K4V | 0.8553 |
150 | 0QA | 0.8545 |
151 | 5NR | 0.8542 |
152 | AM4 | 0.8540 |
153 | BZM | 0.8540 |
154 | RPI | 0.8533 |
155 | RZ0 | 0.8530 |
156 | 27K | 0.8521 |
157 | IS2 | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 2cne.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |