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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 4 families. | |||||
1 | 6F81 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 1AZ1 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
3 | 2PDK | Kd = 270 nM | SBI | C11 H9 F N2 O3 | c1cc2c(cc1.... |
4 | 3S3G | ic50 = 2.39 uM | TLT | C15 H15 N O3 | Cc1ccc(cc1.... |
5 | 4XZI | Kd = 8894.2 nM | F49 | C14 H10 Br4 N2 O5 | COc1c(c(c(.... |
6 | 6F8O | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
7 | 2PDJ | Kd = 86.2 nM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
8 | 2ACQ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
9 | 2PDN | Kd = 3.8 uM | 47D | C14 H10 Cl N3 O4 S | c1cc2c(cc1.... |
10 | 2PDF | Kd = 217 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
11 | 2PD5 | Kd = 37 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
12 | 2IQD | Ki = 25.5 uM | LPA | C8 H14 O2 S2 | C1CSS[C@@H.... |
13 | 3LEN | Kd = 2.56 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
14 | 2FZ9 | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
15 | 2IPW | Ki = 1 uM | 2CL | C8 H6 Cl2 O2 | c1cc(c(c(c.... |
16 | 2IKH | ic50 = 4.1 uM | LIT | C8 H5 N3 O6 S | c1cc(oc1c2.... |
17 | 6F7R | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
18 | 1X98 | ic50 = 11 uM | FIS | C12 H10 F N3 O4 | c1cc2c(cc1.... |
19 | 2PDP | Kd = 2.8 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
20 | 2PDC | Kd = 256.4 nM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
21 | 2IKJ | Kd = 0.04 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
22 | 3ONB | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
23 | 4XZH | Kd = 91.1 nM | 48I | C13 H10 Cl N3 O6 | c1cc(c(cc1.... |
24 | 2PDL | Kd = 588 nM | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
25 | 3M64 | Kd = 1.51 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
26 | 3ONC | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
27 | 3P2V | Kd = 1.29 uM | DOY | C17 H15 N O3 S | c1ccc(cc1).... |
28 | 3BCJ | - | FIS | C12 H10 F N3 O4 | c1cc2c(cc1.... |
29 | 2PEV | Kd = 6.5 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
30 | 1EL3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
31 | 2IKG | ic50 = 0.53 uM | BTO | C12 H11 N3 O5 | c1cc(cc(c1.... |
32 | 4LAU | ic50 = 0.71 uM | W8X | C16 H13 Br Cl N O4 | c1cc(ccc1C.... |
33 | 2ACS | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
34 | 1X97 | ic50 = 0.57 uM | FIR | C12 H10 F N3 O4 | c1cc2c(cc1.... |
35 | 4LAZ | ic50 = 1.9 uM | 1WW | C16 H13 Cl I N O4 | c1cc(ccc1C.... |
36 | 3Q67 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
37 | 5OUJ | ic50 = 0.35 uM | AW8 | C20 H15 Cl F N3 O3 | CC1=Nc2c(c.... |
38 | 2J8T | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
39 | 3G5E | ic50 = 7 nM | Q74 | C17 H10 F3 N3 O2 S | c1cc2c(cn(.... |
40 | 1ADS | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
41 | 2PDQ | Kd = 2 uM | 47D | C14 H10 Cl N3 O4 S | c1cc2c(cc1.... |
42 | 1US0 | ic50 = 30 nM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
43 | 3LEP | Kd = 0.11 uM | 388 | C16 H12 Br Cl F N O4 | c1cc(c(cc1.... |
44 | 1PWM | - | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
45 | 1X96 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
46 | 3GHS | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
47 | 2PDW | Kd = 37 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
48 | 5HA7 | Kd = 0.21 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
49 | 2PDM | Kd = 0.4 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
50 | 4QXI | ic50 = 1.3 uM | I98 | C16 H14 Cl F N2 O4 | c1cc(c(cc1.... |
51 | 2PDI | Kd = 53.2 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
52 | 2ACU | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
53 | 4QX4 | ic50 = 0.097 uM | 3E2 | C11 H8 N4 O2 S | c1ccc2c(c1.... |
54 | 3GHT | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
55 | 2I16 | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
56 | 4IGS | ic50 = 0.3 uM | 64I | C12 H2 F8 O2 | c1(c(c(c(c.... |
57 | 2FZB | - | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
58 | 3LBO | Kd = 21.9 nM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
59 | 3DN5 | ic50 = 0.17 uM | 53N | C13 H11 N O4 S | c1cc(cc(c1.... |
60 | 4LB4 | ic50 = 0.3 uM | 1WX | C16 H9 Br Cl F4 N O4 | c1cc(c(cc1.... |
61 | 3LD5 | Kd = 1.19 uM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
62 | 2F2K | - | TGG | C14 H21 N3 O10 S | C(CC(=O)N[.... |
63 | 2DUZ | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
64 | 4JIR | ic50 = 0.021 uM | EPR | C15 H13 N O3 S2 | C/C(=Cc1cc.... |
65 | 3LZ3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
66 | 2HVO | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
67 | 2AGT | ic50 = 9 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
68 | 2PDG | Kd = 35.5 nM | 47D | C14 H10 Cl N3 O4 S | c1cc2c(cc1.... |
69 | 2I17 | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
70 | 2PDX | Kd = 2.38 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
71 | 3Q65 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
72 | 1T41 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
73 | 2PDB | Kd = 97 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
74 | 6F82 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
75 | 2FZD | - | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
76 | 1Z3N | ic50 = 5 nM | 3NA | C18 H11 F3 N2 O2 S | c1ccc2c(c1.... |
77 | 3T42 | Ki = 107 nM | 3T4 | C17 H12 Cl N3 O6 | c1cc(c(cc1.... |
78 | 2ACR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
79 | 2DUX | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
80 | 2PF8 | Kd = 6.5 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
81 | 2PDY | Kd = 158 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
82 | 3M4H | Kd = 1.01 uM | 388 | C16 H12 Br Cl F N O4 | c1cc(c(cc1.... |
83 | 3LQG | Kd = 0.301 uM | 388 | C16 H12 Br Cl F N O4 | c1cc(c(cc1.... |
84 | 2FZ8 | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
85 | 2NVC | ic50 = 0.14 uM | ITA | C16 H11 N O9 S | c1ccc2c(c1.... |
86 | 5OUK | ic50 = 0.26 uM | AVT | C21 H16 F N3 O4 | CC1=Nc2c(c.... |
87 | 3GHR | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
88 | 2PFH | Kd = 6.5 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
89 | 4LBS | ic50 = 1.19 uM | 4O8 | C16 H11 Br Cl F2 N O4 | c1cc(c(cc1.... |
90 | 3LZ5 | Kd = 0.827 uM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
91 | 3MB9 | Kd = 0.106 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
92 | 4ICC | ic50 = 1 uM | 64I | C12 H2 F8 O2 | c1(c(c(c(c.... |
93 | 4GAB | ic50 = 33 uM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
94 | 5M2F | ic50 = 6.1 uM | UV8 | C24 H27 Br O2 | CC(=Cc1ccc.... |
95 | 5LIX | - | MK4 | C16 H11 Br3 Cl N O4 | c1cc(c(cc1.... |
96 | 5LIY | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
97 | 4JIH | ic50 = 0.33 uM | EPR | C15 H13 N O3 S2 | C/C(=Cc1cc.... |
98 | 4XZN | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
99 | 5LIU | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
100 | 4GQG | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
101 | 4I5X | ic50 = 0.76 uM | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
102 | 1ZUA | ic50 = 10 nM | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
103 | 4XZM | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
104 | 3QKZ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
105 | 1AH3 | - | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
106 | 1AH4 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
107 | 1C9W | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
108 | 1FRB | Kd = 30 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1XF0 | - | ASD | C19 H26 O2 | C[C@]12CCC.... |
2 | 4XVE | ic50 = 2.9 uM | WDS | C24 H28 N4 O2 S | CCCCCN1C(=.... |
3 | 1S1R | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
4 | 4FAM | ic50 = 0.013 uM | 0SZ | C16 H15 N O4 S | c1ccc2c(c1.... |
5 | 4YVV | ic50 = 3.72 uM | GBM | C23 H28 Cl N3 O5 S | COc1ccc(cc.... |
6 | 4WDU | ic50 = 2.6 uM | WDU | C11 H8 Cl2 N4 O3 | c1cc(ccc1C.... |
7 | 4DBS | ic50 = 0.08 uM | 0HV | C17 H12 N2 O4 | c1ccc2c(c1.... |
8 | 4WDX | - | WDX | C17 H22 N2 O2 | Cc1ccc2c(c.... |
9 | 4DBW | ic50 = 0.1 uM | 511 | C18 H14 Cl N O4 | COc1ccc2c(.... |
10 | 4WDT | ic50 = 0.29 uM | WDT | C12 H9 N O5 S | c1ccc(cc1).... |
11 | 1RY8 | - | RUT | C27 H30 O16 | C[C@H]1[C@.... |
12 | 2FGB | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
13 | 4FAL | ic50 = 0.05 uM | 0T0 | C17 H18 N2 O3 S | CNC(=O)c1c.... |
14 | 4ZFC | ic50 = 19.62 uM | GCZ | C15 H21 N3 O3 S | Cc1ccc(cc1.... |
15 | 4H7C | ic50 = 0.088 uM | 10H | C16 H20 N2 O3 S | C[C@@H]1CC.... |
16 | 4FA3 | ic50 = 0.032 uM | 0SL | C16 H17 N O4 S | c1ccc2cc(c.... |
17 | 1RY0 | - | PG2 | C20 H32 O5 | CCCCC[C@@H.... |
18 | 2F38 | ic50 = 6 uM | 15M | C25 H37 N O4 | CCNC(=O)CC.... |
19 | 4YVX | ic50 = 0.85 uM | GMR | C24 H34 N4 O5 S | CCC1=C(CN(.... |
20 | 7C7H | ic50 = 34 nM | FJU | C18 H16 N2 O3 | [H]/N=C1/C.... |
21 | 4HMN | ic50 = 0.11 uM | 16J | C15 H20 Cl N3 O2 | c1cc(ccc1N.... |
22 | 4WDW | - | WDW | C15 H16 N2 O | Cc1ccc2c(c.... |
23 | 1ZQ5 | Ki = 6.9 nM | E04 | C25 H33 N O3 | CC1(CC[C@@.... |
24 | 1S2C | Ki ~ 0.14 uM | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
25 | 6F2U | ic50 = 0.44 uM | CJ2 | C18 H15 F3 N4 O3 | COc1ccc(cc.... |
26 | 6F78 | ic50 = 0.26 uM | CVN | C15 H8 F6 N2 O2 | c1cc(c2c(c.... |
27 | 7C7G | ic50 = 27 nM | FJR | C17 H14 N2 O3 | [H]/N=C1/C.... |
28 | 6GXK | - | FFW | C20 H16 Cl N3 O4 | Cc1c(c2cc(.... |
29 | 1S1P | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
30 | 7C7F | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
31 | 1K8C | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
32 | 1Z9A | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
33 | 1SM9 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
34 | 1R38 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
35 | 1MI3 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
36 | 1YE6 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
37 | 1YE4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
38 | 6F81 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
39 | 1AZ1 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
40 | 2PDK | Kd = 270 nM | SBI | C11 H9 F N2 O3 | c1cc2c(cc1.... |
41 | 3S3G | ic50 = 2.39 uM | TLT | C15 H15 N O3 | Cc1ccc(cc1.... |
42 | 4XZI | Kd = 8894.2 nM | F49 | C14 H10 Br4 N2 O5 | COc1c(c(c(.... |
43 | 6F8O | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
44 | 2PDJ | Kd = 86.2 nM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
45 | 2ACQ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
46 | 2PDN | Kd = 3.8 uM | 47D | C14 H10 Cl N3 O4 S | c1cc2c(cc1.... |
47 | 2PDF | Kd = 217 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
48 | 2PD5 | Kd = 37 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
49 | 2IQD | Ki = 25.5 uM | LPA | C8 H14 O2 S2 | C1CSS[C@@H.... |
50 | 3LEN | Kd = 2.56 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
51 | 2FZ9 | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
52 | 2IPW | Ki = 1 uM | 2CL | C8 H6 Cl2 O2 | c1cc(c(c(c.... |
53 | 2IKH | ic50 = 4.1 uM | LIT | C8 H5 N3 O6 S | c1cc(oc1c2.... |
54 | 6F7R | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
55 | 1X98 | ic50 = 11 uM | FIS | C12 H10 F N3 O4 | c1cc2c(cc1.... |
56 | 2PDP | Kd = 2.8 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
57 | 2PDC | Kd = 256.4 nM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
58 | 2IKJ | Kd = 0.04 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
59 | 3ONB | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
60 | 4XZH | Kd = 91.1 nM | 48I | C13 H10 Cl N3 O6 | c1cc(c(cc1.... |
61 | 2PDL | Kd = 588 nM | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
62 | 3M64 | Kd = 1.51 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
63 | 3ONC | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
64 | 3P2V | Kd = 1.29 uM | DOY | C17 H15 N O3 S | c1ccc(cc1).... |
65 | 3BCJ | - | FIS | C12 H10 F N3 O4 | c1cc2c(cc1.... |
66 | 2PEV | Kd = 6.5 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
67 | 1EL3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
68 | 2IKG | ic50 = 0.53 uM | BTO | C12 H11 N3 O5 | c1cc(cc(c1.... |
69 | 4LAU | ic50 = 0.71 uM | W8X | C16 H13 Br Cl N O4 | c1cc(ccc1C.... |
70 | 2ACS | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
71 | 1X97 | ic50 = 0.57 uM | FIR | C12 H10 F N3 O4 | c1cc2c(cc1.... |
72 | 4LAZ | ic50 = 1.9 uM | 1WW | C16 H13 Cl I N O4 | c1cc(ccc1C.... |
73 | 3Q67 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
74 | 5OUJ | ic50 = 0.35 uM | AW8 | C20 H15 Cl F N3 O3 | CC1=Nc2c(c.... |
75 | 2J8T | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
76 | 3G5E | ic50 = 7 nM | Q74 | C17 H10 F3 N3 O2 S | c1cc2c(cn(.... |
77 | 1ADS | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
78 | 2PDQ | Kd = 2 uM | 47D | C14 H10 Cl N3 O4 S | c1cc2c(cc1.... |
79 | 1US0 | ic50 = 30 nM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
80 | 3LEP | Kd = 0.11 uM | 388 | C16 H12 Br Cl F N O4 | c1cc(c(cc1.... |
81 | 1PWM | - | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
82 | 1X96 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
83 | 3GHS | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
84 | 2PDW | Kd = 37 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
85 | 5HA7 | Kd = 0.21 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
86 | 2PDM | Kd = 0.4 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
87 | 4QXI | ic50 = 1.3 uM | I98 | C16 H14 Cl F N2 O4 | c1cc(c(cc1.... |
88 | 2PDI | Kd = 53.2 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
89 | 2ACU | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
90 | 4QX4 | ic50 = 0.097 uM | 3E2 | C11 H8 N4 O2 S | c1ccc2c(c1.... |
91 | 3GHT | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
92 | 2I16 | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
93 | 4IGS | ic50 = 0.3 uM | 64I | C12 H2 F8 O2 | c1(c(c(c(c.... |
94 | 2FZB | - | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
95 | 3LBO | Kd = 21.9 nM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
96 | 3DN5 | ic50 = 0.17 uM | 53N | C13 H11 N O4 S | c1cc(cc(c1.... |
97 | 4LB4 | ic50 = 0.3 uM | 1WX | C16 H9 Br Cl F4 N O4 | c1cc(c(cc1.... |
98 | 3LD5 | Kd = 1.19 uM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
99 | 2F2K | - | TGG | C14 H21 N3 O10 S | C(CC(=O)N[.... |
100 | 2DUZ | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
101 | 4JIR | ic50 = 0.021 uM | EPR | C15 H13 N O3 S2 | C/C(=Cc1cc.... |
102 | 3LZ3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
103 | 2HVO | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
104 | 2AGT | ic50 = 9 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
105 | 2PDG | Kd = 35.5 nM | 47D | C14 H10 Cl N3 O4 S | c1cc2c(cc1.... |
106 | 2I17 | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
107 | 2PDX | Kd = 2.38 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
108 | 3Q65 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
109 | 1T41 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
110 | 2PDB | Kd = 97 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
111 | 6F82 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
112 | 2FZD | - | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
113 | 1Z3N | ic50 = 5 nM | 3NA | C18 H11 F3 N2 O2 S | c1ccc2c(c1.... |
114 | 3T42 | Ki = 107 nM | 3T4 | C17 H12 Cl N3 O6 | c1cc(c(cc1.... |
115 | 2ACR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
116 | 2DUX | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
117 | 2PF8 | Kd = 6.5 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
118 | 2PDY | Kd = 158 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
119 | 3M4H | Kd = 1.01 uM | 388 | C16 H12 Br Cl F N O4 | c1cc(c(cc1.... |
120 | 3LQG | Kd = 0.301 uM | 388 | C16 H12 Br Cl F N O4 | c1cc(c(cc1.... |
121 | 2FZ8 | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
122 | 2NVC | ic50 = 0.14 uM | ITA | C16 H11 N O9 S | c1ccc2c(c1.... |
123 | 5OUK | ic50 = 0.26 uM | AVT | C21 H16 F N3 O4 | CC1=Nc2c(c.... |
124 | 3GHR | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
125 | 2PFH | Kd = 6.5 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
126 | 4LBS | ic50 = 1.19 uM | 4O8 | C16 H11 Br Cl F2 N O4 | c1cc(c(cc1.... |
127 | 3LZ5 | Kd = 0.827 uM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
128 | 3MB9 | Kd = 0.106 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
129 | 3V36 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
130 | 1Z89 | Ka = 1100000 M^-1 | 62P | C13 H9 Cl N2 O4 S | Cc1c2cc(cc.... |
131 | 3LQL | Kd = 1.64 uM | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
132 | 1PWL | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
133 | 3U2C | ic50 = 0.4 uM | SUZ | C20 H17 F O3 S | CC1=C(c2cc.... |
134 | 1T40 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
135 | 5OU0 | ic50 = 0.21 uM | AV5 | C20 H14 Cl N3 O3 | CC1=Nc2c(c.... |
136 | 3MC5 | Kd = 1.51 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
137 | 2PDH | Kd = 227 nM | 47D | C14 H10 Cl N3 O4 S | c1cc2c(cc1.... |
138 | 2IKI | Kd = 0.032 uM | 388 | C16 H12 Br Cl F N O4 | c1cc(c(cc1.... |
139 | 2PDU | Kd = 2.5 uM | 393 | C16 H13 Cl N2 O6 | c1cc(cc(c1.... |
140 | 1Z8A | Ka = 1100000 M^-1 | 62P | C13 H9 Cl N2 O4 S | Cc1c2cc(cc.... |
141 | 3GHU | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
142 | 2IS7 | Ki = 4.4 uM | 2CL | C8 H6 Cl2 O2 | c1cc(c(c(c.... |
143 | 1MAR | ic50 = 3 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
144 | 2ISF | Ki = 360 uM | PAC | C8 H8 O2 | c1ccc(cc1).... |
145 | 3M0I | Kd = 1.85 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
146 | 2IQ0 | Ki = 68.6 uM | 6NA | C6 H12 O2 | CCCCCC(=O).... |
147 | 2DV0 | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
148 | 4LB3 | ic50 = 0.19 uM | M15 | C16 H12 Cl F I N O4 | c1cc(c(cc1.... |
149 | 2NVD | ic50 = 0.55 uM | ITB | C14 H9 N O7 S | c1ccc2c(c1.... |
150 | 1IEI | ic50 = 44 nM | ZES | C17 H11 Br Cl F N2 O4 | c1cc2c(cc1.... |
151 | 2PD9 | Kd = 8.3 nM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
152 | 2INZ | Ki = 3.5 uM | OHP | C8 H8 O3 | c1ccc(c(c1.... |
153 | 4LBR | ic50 = 1.36 uM | 4O9 | C16 H11 Cl F2 I N O4 | c1cc(c(cc1.... |
154 | 2QXW | - | LDT | C16 H12 Br F2 N O3 S | c1cc(c(cc1.... |
155 | 1ABN | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
156 | 2HVN | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
157 | 2HV5 | - | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
158 | 2INE | Ki = 96 uM | PAC | C8 H8 O2 | c1ccc(cc1).... |
159 | 6F84 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
160 | 3V35 | Ki = 13.55 uM | NTI | C12 H9 N3 O5 S | CC(=O)Oc1c.... |
161 | 3UZZ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
162 | 3DOP | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
163 | 3CMF | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
164 | 3CAQ | Kd = 528 nM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
165 | 3BV7 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
166 | 3UZW | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
167 | 3BUV | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
168 | 3G1R | Ki = 2.1 uM | FIT | C23 H36 N2 O2 | C[C@]12CC[.... |
169 | 3CAS | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
170 | 3COT | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
171 | 3UZY | Ki = 47.1 uM | BDT | C19 H30 O2 | C[C@]12CCC.... |
172 | 3BUR | Ki = 14.45 uM | TES | C19 H28 O2 | C[C@]12CC[.... |
173 | 3UZX | - | AOX | C19 H30 O2 | C[C@]12CC[.... |
174 | 3CAV | - | CI2 | C21 H32 O2 | CC(=O)[C@H.... |
175 | 5UXF | Kd = 87 nM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
176 | 6M7K | - | A A G | n/a | n/a |
177 | 2HEJ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
178 | 2IPF | - | FFA | C19 H28 O2 | C[C@]12CC[.... |
179 | 3CV6 | ic50 = 50 uM | HXS | C18 H22 O2 | CC[C@@H](c.... |
180 | 2IPG | - | FFA | C19 H28 O2 | C[C@]12CC[.... |
181 | 2P5N | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
182 | 3WG6 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
183 | 5Z6T | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
184 | 3H7U | Kd = 163 nM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
185 | 5AZ1 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
186 | 1XJB | Kd = 0.88 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
187 | 2HDJ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
188 | 4L1W | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
189 | 4L1X | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
190 | 1J96 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
191 | 4XO7 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
192 | 3NTY | Ki = 0.86 nM | 5P3 | C13 H9 Cl O3 | c1ccc(cc1).... |
193 | 4XO6 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
194 | 1MRQ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
195 | 3C3U | Ki = 5.9 nM | C2U | C7 H4 Cl2 O3 | c1c(cc(c(c.... |
196 | 2IPJ | - | FFA | C19 H28 O2 | C[C@]12CC[.... |
197 | 4ICC | ic50 = 1 uM | 64I | C12 H2 F8 O2 | c1(c(c(c(c.... |
198 | 4GAB | ic50 = 33 uM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
199 | 5M2F | ic50 = 6.1 uM | UV8 | C24 H27 Br O2 | CC(=Cc1ccc.... |
200 | 5LIX | - | MK4 | C16 H11 Br3 Cl N O4 | c1cc(c(cc1.... |
201 | 5LIY | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
202 | 4JIH | ic50 = 0.33 uM | EPR | C15 H13 N O3 S2 | C/C(=Cc1cc.... |
203 | 4XZN | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
204 | 5LIU | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
205 | 4GQG | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
206 | 4I5X | ic50 = 0.76 uM | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
207 | 1ZUA | ic50 = 10 nM | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
208 | 4XZM | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
209 | 5LIW | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
210 | 4JII | ic50 = 0.62 uM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
211 | 4WEV | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
212 | 4XZL | - | F49 | C14 H10 Br4 N2 O5 | COc1c(c(c(.... |
213 | 5LIK | - | W8X | C16 H13 Br Cl N O4 | c1cc(ccc1C.... |
214 | 3QKZ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
215 | 3O3R | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
216 | 1Q5M | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
217 | 1Q13 | - | TES | C19 H28 O2 | C[C@]12CC[.... |
218 | 1AH3 | - | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
219 | 1AH4 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
220 | 1EKO | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
221 | 1AH0 | - | SBI | C11 H9 F N2 O3 | c1cc2c(cc1.... |
222 | 2BGS | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
223 | 2VDG | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
224 | 1ZGD | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
225 | 5JH2 | - | A2P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
226 | 4IJR | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
227 | 4H8N | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
228 | 3H7R | Kd = 584 nM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
229 | 1VBJ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
230 | 5ZCM | - | NDP DTT | n/a | n/a |
231 | 1VP5 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
232 | 3WCZ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
233 | 1A80 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
234 | 1M9H | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
235 | 1HQT | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
236 | 3H4G | ic50 = 2.5 uM | FID | C12 H10 F N3 O4 | c1cc2c(cc1.... |
237 | 3CV7 | Ki = 5.9 nM | C2U | C7 H4 Cl2 O3 | c1c(cc(c(c.... |
238 | 1CWN | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
239 | 1AE4 | Ki = 3 uM | TOL | C16 H14 F3 N O3 S | CN(CC(=O)O.... |
240 | 4OTK | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
241 | 1C9W | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
242 | 1FRB | Kd = 30 nM | ZST | C19 H12 F3 N3 O3 S | c1ccc2c(c1.... |
243 | 1AFS | - | TES | C19 H28 O2 | C[C@]12CC[.... |
244 | 3KRB | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M6P | 1 | 1 |
2 | M6D | 1 | 1 |
3 | A6P | 1 | 1 |
4 | BG6 | 1 | 1 |
5 | BGP | 1 | 1 |
6 | G6P | 1 | 1 |
7 | RP5 | 0.8 | 0.902439 |
8 | HSX | 0.8 | 0.902439 |
9 | ABF | 0.8 | 0.902439 |
10 | AHG | 0.621622 | 0.795455 |
11 | 4R1 | 0.590909 | 0.829787 |
12 | GLP | 0.590909 | 0.829787 |
13 | RF5 | 0.571429 | 0.8 |
14 | 50A | 0.571429 | 0.8 |
15 | BMX | 0.55102 | 0.75 |
16 | 4QY | 0.55102 | 0.75 |
17 | 16G | 0.55102 | 0.75 |
18 | EMZ | 0.55 | 0.636364 |
19 | GRF | 0.547619 | 0.692308 |
20 | NNG | 0.530612 | 0.75 |
21 | FDQ | 0.511111 | 0.777778 |
22 | G16 | 0.5 | 0.951219 |
23 | PRP | 0.5 | 0.880952 |
24 | RI2 | 0.5 | 0.857143 |
25 | D6G | 0.468085 | 0.951219 |
26 | GAL | 0.461538 | 0.675 |
27 | GIV | 0.461538 | 0.675 |
28 | GAL GAL | 0.461538 | 0.675 |
29 | BGC | 0.461538 | 0.675 |
30 | BGC GAL | 0.461538 | 0.675 |
31 | MAN | 0.461538 | 0.675 |
32 | WOO | 0.461538 | 0.675 |
33 | BMA | 0.461538 | 0.675 |
34 | GXL | 0.461538 | 0.675 |
35 | GLA | 0.461538 | 0.675 |
36 | GLC | 0.461538 | 0.675 |
37 | ALL | 0.461538 | 0.675 |
38 | GLC GLC | 0.461538 | 0.675 |
39 | N | 0.444444 | 0.777778 |
40 | PPC | 0.442308 | 0.822222 |
41 | BGC GLC GLC GLC GLC | 0.433962 | 0.674419 |
42 | BGC GLC GLC GLC GLC GLC | 0.433962 | 0.674419 |
43 | QIF | 0.4 | 0.951219 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAP | 1 | 1 |
2 | NA0 | 0.881356 | 0.986301 |
3 | TAP | 0.872881 | 0.934211 |
4 | NDO | 0.840336 | 0.972603 |
5 | NAD | 0.811966 | 0.986111 |
6 | N01 | 0.733871 | 0.958904 |
7 | NAD IBO | 0.716667 | 0.972222 |
8 | NAD TDB | 0.716667 | 0.972222 |
9 | A3D | 0.712 | 0.972603 |
10 | NBP | 0.707692 | 0.935065 |
11 | NHD | 0.68254 | 0.958904 |
12 | NJP | 0.661417 | 0.972973 |
13 | NFD | 0.658915 | 0.934211 |
14 | DND | 0.619048 | 0.959459 |
15 | AMP NAD | 0.606061 | 0.958904 |
16 | ZID | 0.605839 | 0.972603 |
17 | NAQ | 0.59854 | 0.922078 |
18 | ATR | 0.59292 | 0.917808 |
19 | NAE | 0.591241 | 0.946667 |
20 | NDE | 0.58042 | 0.986301 |
21 | A22 | 0.571429 | 0.958904 |
22 | NAJ | 0.567164 | 0.986111 |
23 | A2R | 0.563025 | 0.932432 |
24 | NDC | 0.561644 | 0.922078 |
25 | NA7 | 0.552846 | 0.907895 |
26 | ODP | 0.551471 | 0.935065 |
27 | A2P | 0.539823 | 0.930556 |
28 | 8ID | 0.537313 | 0.910256 |
29 | NAD BBN | 0.525974 | 0.865854 |
30 | NPW | 0.525547 | 0.8875 |
31 | NZQ | 0.521739 | 0.910256 |
32 | CNA | 0.521739 | 0.959459 |
33 | NAD CJ3 | 0.519231 | 0.835294 |
34 | NDP | 0.514493 | 0.922078 |
35 | PO4 PO4 A A A A PO4 | 0.503937 | 0.930556 |
36 | 1DG | 0.503401 | 0.922078 |
37 | DG1 | 0.503401 | 0.922078 |
38 | TXP | 0.5 | 0.922078 |
39 | NMN AMP PO4 | 0.492958 | 0.921053 |
40 | XNP | 0.492958 | 0.875 |
41 | 25L | 0.492308 | 0.958904 |
42 | 25A | 0.492063 | 0.972222 |
43 | NAD NDT | 0.490909 | 0.747368 |
44 | NMN | 0.486726 | 0.888889 |
45 | NGD | 0.485714 | 0.935065 |
46 | 9JJ | 0.481707 | 0.8875 |
47 | 2AM | 0.477876 | 0.891892 |
48 | NDP DTT | 0.461538 | 0.843373 |
49 | ADP | 0.458333 | 0.945205 |
50 | ADP MG | 0.454545 | 0.944444 |
51 | ADP BEF | 0.454545 | 0.944444 |
52 | A7R | 0.452555 | 0.846154 |
53 | PAP | 0.451613 | 0.931507 |
54 | A2D | 0.445378 | 0.945205 |
55 | AN2 | 0.442623 | 0.932432 |
56 | 7L1 | 0.441558 | 0.777778 |
57 | ADP PO3 | 0.44 | 0.944444 |
58 | AGS | 0.44 | 0.896104 |
59 | ATP MG | 0.44 | 0.944444 |
60 | M33 | 0.439024 | 0.906667 |
61 | AR6 AR6 | 0.438849 | 0.945205 |
62 | BA3 | 0.438017 | 0.945205 |
63 | VO4 ADP | 0.4375 | 0.945946 |
64 | BEF ADP | 0.436508 | 0.918919 |
65 | OAD | 0.43609 | 0.92 |
66 | ADP BMA | 0.43609 | 0.92 |
67 | DQV | 0.435714 | 0.958904 |
68 | HEJ | 0.435484 | 0.945205 |
69 | ATP | 0.435484 | 0.945205 |
70 | OOB | 0.435115 | 0.958904 |
71 | AP5 | 0.434426 | 0.945205 |
72 | B4P | 0.434426 | 0.945205 |
73 | GAP | 0.433071 | 0.92 |
74 | 0WD | 0.432432 | 0.922078 |
75 | 5FA | 0.432 | 0.945205 |
76 | 2A5 | 0.432 | 0.87013 |
77 | AQP | 0.432 | 0.945205 |
78 | AT4 | 0.430894 | 0.907895 |
79 | HQG | 0.430769 | 0.932432 |
80 | 00A | 0.428571 | 0.909091 |
81 | 8LQ | 0.427481 | 0.907895 |
82 | DAL AMP | 0.427481 | 0.932432 |
83 | CA0 | 0.427419 | 0.92 |
84 | ANP MG | 0.426357 | 0.932432 |
85 | ALF ADP | 0.426357 | 0.871795 |
86 | 9X8 | 0.425373 | 0.871795 |
87 | KG4 | 0.424 | 0.92 |
88 | ACP | 0.424 | 0.92 |
89 | NAJ PZO | 0.423841 | 0.897436 |
90 | 9SN | 0.423358 | 0.897436 |
91 | WAQ | 0.422222 | 0.884615 |
92 | ACQ | 0.421875 | 0.92 |
93 | V3L | 0.421875 | 0.945205 |
94 | ADQ | 0.421053 | 0.92 |
95 | AR6 | 0.420635 | 0.918919 |
96 | APR | 0.420635 | 0.918919 |
97 | ATP A | 0.42029 | 0.958333 |
98 | ATP A A A | 0.42029 | 0.958333 |
99 | CO7 | 0.419753 | 0.786517 |
100 | 3OD | 0.419118 | 0.92 |
101 | 1ZZ | 0.419118 | 0.841463 |
102 | DLL | 0.41791 | 0.958904 |
103 | AD9 | 0.417323 | 0.92 |
104 | OVE | 0.416667 | 0.857143 |
105 | NAX | 0.416667 | 0.875 |
106 | QA7 | 0.416667 | 0.896104 |
107 | MYR AMP | 0.416058 | 0.841463 |
108 | AV2 | 0.415385 | 0.868421 |
109 | A3P | 0.414634 | 0.944444 |
110 | NNR | 0.414414 | 0.72973 |
111 | ALF ADP 3PG | 0.413793 | 0.8625 |
112 | OMR | 0.413793 | 0.831325 |
113 | 6YZ | 0.412214 | 0.92 |
114 | ANP | 0.410853 | 0.92 |
115 | A1R | 0.410448 | 0.860759 |
116 | 45A | 0.409836 | 0.893333 |
117 | ABM | 0.409836 | 0.893333 |
118 | AMP | 0.408333 | 0.944444 |
119 | A | 0.408333 | 0.944444 |
120 | SON | 0.408 | 0.933333 |
121 | PPS | 0.407692 | 0.829268 |
122 | 8LE | 0.407692 | 0.896104 |
123 | 5AL | 0.407692 | 0.932432 |
124 | NAI | 0.406897 | 0.909091 |
125 | 7D3 | 0.406504 | 0.857143 |
126 | AMP MG | 0.404959 | 0.930556 |
127 | ADX | 0.404762 | 0.829268 |
128 | ATF | 0.40458 | 0.907895 |
129 | 3UK | 0.404412 | 0.945946 |
130 | AMP DBH | 0.404255 | 0.894737 |
131 | 139 | 0.402685 | 0.875 |
132 | 50T | 0.401575 | 0.906667 |
133 | 8LH | 0.401515 | 0.907895 |
134 | SRP | 0.401515 | 0.907895 |
135 | B5V | 0.40146 | 0.933333 |
136 | 3AM | 0.4 | 0.90411 |
137 | B5M | 0.4 | 0.921053 |
138 | A3R | 0.4 | 0.860759 |
139 | KMQ | 0.4 | 0.883117 |
140 | FA5 | 0.4 | 0.933333 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BG6 MGF | 0.9939 |
2 | G6P MGF | 0.9937 |
3 | MGF G6P | 0.9937 |
4 | 3LJ | 0.9924 |
5 | 1QV | 0.9782 |
6 | PZP | 0.9676 |
7 | PLP PMP | 0.9676 |
8 | PMP | 0.9676 |
9 | PLR | 0.9675 |
10 | PLP | 0.9654 |
11 | PXP | 0.9644 |
12 | NPL | 0.9626 |
13 | 6HP | 0.9605 |
14 | F6P | 0.9506 |
15 | N2M | 0.9502 |
16 | F5C | 0.9423 |
17 | AMR | 0.9389 |
18 | TU0 | 0.9371 |
19 | MP5 | 0.9360 |
20 | F1P | 0.9347 |
21 | GT1 | 0.9345 |
22 | LIP | 0.9339 |
23 | AC2 | 0.9336 |
24 | SBK | 0.9333 |
25 | 5WN | 0.9332 |
26 | IOP | 0.9320 |
27 | FER | 0.9316 |
28 | M02 | 0.9307 |
29 | GJK | 0.9307 |
30 | NQH | 0.9302 |
31 | SG2 | 0.9295 |
32 | DHC | 0.9266 |
33 | 2GQ | 0.9258 |
34 | 5WM | 0.9255 |
35 | X04 | 0.9254 |
36 | RGG | 0.9250 |
37 | MD6 | 0.9247 |
38 | STT | 0.9240 |
39 | KLV | 0.9233 |
40 | 9F8 | 0.9231 |
41 | L21 | 0.9227 |
42 | SYE | 0.9224 |
43 | PTS | 0.9222 |
44 | CMU | 0.9210 |
45 | NPA | 0.9202 |
46 | ARP | 0.9195 |
47 | V1T | 0.9195 |
48 | F1X | 0.9192 |
49 | 5ER | 0.9191 |
50 | M3Q | 0.9190 |
51 | 5WS | 0.9187 |
52 | H35 | 0.9186 |
53 | 8MP | 0.9185 |
54 | EYA | 0.9184 |
55 | G1P | 0.9181 |
56 | 3Y7 | 0.9180 |
57 | 5OO | 0.9179 |
58 | IOS | 0.9172 |
59 | I2E | 0.9171 |
60 | ZON | 0.9169 |
61 | 9BF | 0.9163 |
62 | YF3 | 0.9162 |
63 | ALN | 0.9158 |
64 | JP2 | 0.9156 |
65 | GPM | 0.9154 |
66 | IPD | 0.9152 |
67 | TA6 | 0.9151 |
68 | 2JK | 0.9151 |
69 | 3D3 | 0.9150 |
70 | GO8 | 0.9149 |
71 | QMS | 0.9149 |
72 | P0P | 0.9147 |
73 | APS | 0.9140 |
74 | HPT | 0.9140 |
75 | ZIP | 0.9136 |
76 | 2LT | 0.9135 |
77 | F52 | 0.9135 |
78 | NIY | 0.9135 |
79 | ETV | 0.9134 |
80 | BDI | 0.9134 |
81 | GZV | 0.9133 |
82 | EYY | 0.9133 |
83 | 1VQ | 0.9133 |
84 | K25 | 0.9132 |
85 | Q5M | 0.9131 |
86 | CPW | 0.9130 |
87 | EBQ | 0.9129 |
88 | JV4 | 0.9125 |
89 | CGW | 0.9124 |
90 | TOM | 0.9122 |
91 | MBP | 0.9122 |
92 | ZZ2 | 0.9117 |
93 | B61 | 0.9116 |
94 | 3RI | 0.9115 |
95 | DY5 | 0.9115 |
96 | CFA | 0.9115 |
97 | CCV | 0.9113 |
98 | ZHA | 0.9112 |
99 | DXK | 0.9111 |
100 | GC2 | 0.9111 |
101 | 3GX | 0.9109 |
102 | CHQ | 0.9108 |
103 | CLU | 0.9106 |
104 | 0SY | 0.9101 |
105 | 3IB | 0.9100 |
106 | CTE | 0.9098 |
107 | EVF | 0.9095 |
108 | O2Y | 0.9094 |
109 | FF2 | 0.9093 |
110 | DTE | 0.9090 |
111 | NTF | 0.9089 |
112 | 57O | 0.9087 |
113 | 68A | 0.9086 |
114 | XFE | 0.9085 |
115 | PVQ | 0.9085 |
116 | F6R | 0.9085 |
117 | GFP | 0.9084 |
118 | N7I | 0.9084 |
119 | 8U3 | 0.9083 |
120 | QUB | 0.9082 |
121 | 55D | 0.9082 |
122 | A5P | 0.9082 |
123 | XCG | 0.9081 |
124 | KWB | 0.9081 |
125 | GA2 | 0.9080 |
126 | 6J9 | 0.9080 |
127 | ZRL | 0.9080 |
128 | 790 | 0.9078 |
129 | OUB | 0.9076 |
130 | PVK | 0.9076 |
131 | FUZ | 0.9075 |
132 | NW1 | 0.9075 |
133 | M1P | 0.9075 |
134 | 2HC | 0.9073 |
135 | C9M | 0.9072 |
136 | 2VQ | 0.9072 |
137 | 96Z | 0.9070 |
138 | HA6 | 0.9068 |
139 | 3VX | 0.9065 |
140 | EXL | 0.9065 |
141 | I59 | 0.9065 |
142 | DTR | 0.9063 |
143 | 61M | 0.9063 |
144 | YO5 | 0.9062 |
145 | SXX | 0.9062 |
146 | 4OG | 0.9059 |
147 | TRP | 0.9059 |
148 | 6J5 | 0.9059 |
149 | 5P3 | 0.9057 |
150 | MXD | 0.9055 |
151 | 3D8 | 0.9055 |
152 | 363 | 0.9054 |
153 | P80 | 0.9053 |
154 | 4Z9 | 0.9052 |
155 | EYV | 0.9052 |
156 | LTN | 0.9052 |
157 | KTW | 0.9052 |
158 | ZEC | 0.9051 |
159 | KF5 | 0.9049 |
160 | 6Q3 | 0.9048 |
161 | ZEZ | 0.9047 |
162 | 4FE | 0.9047 |
163 | 5NN | 0.9046 |
164 | GXG | 0.9045 |
165 | 3IL | 0.9044 |
166 | EXR | 0.9044 |
167 | LOT | 0.9043 |
168 | T6Z | 0.9043 |
169 | ZRK | 0.9043 |
170 | X0T | 0.9039 |
171 | 4GP | 0.9038 |
172 | 7I2 | 0.9038 |
173 | 5WT | 0.9038 |
174 | 6GP | 0.9038 |
175 | UQ1 | 0.9037 |
176 | GP1 | 0.9037 |
177 | 9GP | 0.9036 |
178 | LL1 | 0.9035 |
179 | TMG | 0.9035 |
180 | CR1 | 0.9034 |
181 | B4O | 0.9030 |
182 | 7L4 | 0.9029 |
183 | M7P | 0.9027 |
184 | GI1 | 0.9027 |
185 | 22L | 0.9026 |
186 | I4D | 0.9025 |
187 | 5E5 | 0.9025 |
188 | IL5 | 0.9025 |
189 | F34 | 0.9024 |
190 | 6DP | 0.9023 |
191 | H4B | 0.9021 |
192 | C9E | 0.9019 |
193 | JVA | 0.9018 |
194 | 8VR | 0.9017 |
195 | EYM | 0.9017 |
196 | ITW | 0.9016 |
197 | B41 | 0.9016 |
198 | 5V7 | 0.9016 |
199 | FWD | 0.9015 |
200 | CIY | 0.9014 |
201 | IBM | 0.9014 |
202 | 2KU | 0.9011 |
203 | F40 | 0.9011 |
204 | ZME | 0.9011 |
205 | GRX | 0.9011 |
206 | E9S | 0.9010 |
207 | BY5 | 0.9010 |
208 | BIO | 0.9008 |
209 | DAH | 0.9006 |
210 | MUX | 0.9005 |
211 | YOF | 0.9005 |
212 | YE7 | 0.9005 |
213 | 8NX | 0.9005 |
214 | EGR | 0.9003 |
215 | QH3 | 0.9003 |
216 | MPP | 0.9001 |
217 | HBI | 0.9001 |
218 | 7PJ | 0.9000 |
219 | CX4 | 0.9000 |
220 | TRF | 0.8999 |
221 | NBV | 0.8999 |
222 | EYJ | 0.8999 |
223 | 54X | 0.8998 |
224 | 78U | 0.8997 |
225 | 8W9 | 0.8996 |
226 | IAC | 0.8993 |
227 | ALX | 0.8993 |
228 | F06 | 0.8992 |
229 | C0W | 0.8990 |
230 | HC4 | 0.8990 |
231 | MFZ | 0.8987 |
232 | 7AP | 0.8984 |
233 | GI3 | 0.8984 |
234 | HJB | 0.8983 |
235 | CWD | 0.8982 |
236 | AGP | 0.8981 |
237 | 9E3 | 0.8980 |
238 | 3WJ | 0.8980 |
239 | HWD | 0.8979 |
240 | C4E | 0.8977 |
241 | ONZ | 0.8976 |
242 | EXD | 0.8975 |
243 | N91 | 0.8974 |
244 | ZYQ | 0.8973 |
245 | CC5 | 0.8971 |
246 | MQB | 0.8971 |
247 | A5Q | 0.8970 |
248 | 7MX | 0.8967 |
249 | 6ZW | 0.8965 |
250 | 1Q4 | 0.8964 |
251 | HVE | 0.8964 |
252 | 67Y | 0.8964 |
253 | 56N | 0.8963 |
254 | 0FK | 0.8963 |
255 | M5H | 0.8962 |
256 | 4AB | 0.8961 |
257 | K3Q | 0.8961 |
258 | YIH | 0.8960 |
259 | 5O5 | 0.8960 |
260 | EVO | 0.8960 |
261 | P4L | 0.8960 |
262 | X1P | 0.8959 |
263 | FT6 | 0.8959 |
264 | MMS | 0.8958 |
265 | BWD | 0.8958 |
266 | HBO | 0.8958 |
267 | 4WF | 0.8957 |
268 | KYN | 0.8957 |
269 | 28S | 0.8957 |
270 | EXG | 0.8957 |
271 | 5TY | 0.8956 |
272 | LEU PRO | 0.8956 |
273 | B23 | 0.8954 |
274 | 1X8 | 0.8953 |
275 | NCV | 0.8952 |
276 | DER | 0.8951 |
277 | GI4 | 0.8951 |
278 | 1BW | 0.8949 |
279 | STV | 0.8949 |
280 | ZEA | 0.8947 |
281 | CIP | 0.8947 |
282 | SKF | 0.8946 |
283 | 0FR | 0.8945 |
284 | A4V | 0.8945 |
285 | 2FX | 0.8944 |
286 | BB4 | 0.8943 |
287 | PE2 | 0.8943 |
288 | 2QU | 0.8942 |
289 | D9Z | 0.8942 |
290 | ESI | 0.8941 |
291 | M01 | 0.8941 |
292 | TB8 | 0.8940 |
293 | GL1 | 0.8940 |
294 | NAG | 0.8939 |
295 | OSB | 0.8939 |
296 | TSR | 0.8938 |
297 | 505 | 0.8937 |
298 | P7Y | 0.8936 |
299 | DEZ | 0.8934 |
300 | R9Y | 0.8934 |
301 | URI | 0.8931 |
302 | S8G | 0.8931 |
303 | GO2 | 0.8931 |
304 | BGN | 0.8931 |
305 | NHT | 0.8928 |
306 | LJ4 | 0.8928 |
307 | QIV | 0.8927 |
308 | 3AK | 0.8927 |
309 | MPU | 0.8927 |
310 | ALE | 0.8927 |
311 | IBC | 0.8926 |
312 | 5B2 | 0.8925 |
313 | SJK | 0.8925 |
314 | S7G | 0.8924 |
315 | KP2 | 0.8924 |
316 | 5OF | 0.8924 |
317 | FNA | 0.8923 |
318 | NOK | 0.8922 |
319 | 78P | 0.8921 |
320 | 3D1 | 0.8920 |
321 | IWD | 0.8920 |
322 | PMM | 0.8919 |
323 | MNP | 0.8917 |
324 | PIQ | 0.8917 |
325 | HHS | 0.8916 |
326 | 5WU | 0.8915 |
327 | 3DT | 0.8915 |
328 | KG1 | 0.8913 |
329 | CL9 | 0.8913 |
330 | EUH | 0.8912 |
331 | LJ3 | 0.8911 |
332 | ZYV | 0.8910 |
333 | QR2 | 0.8910 |
334 | JYK | 0.8910 |
335 | DBS | 0.8908 |
336 | 92O | 0.8908 |
337 | 1QP | 0.8907 |
338 | X0U | 0.8906 |
339 | ZIQ | 0.8906 |
340 | RKV | 0.8905 |
341 | MUK | 0.8905 |
342 | P81 | 0.8905 |
343 | MJ5 | 0.8904 |
344 | 657 | 0.8903 |
345 | OX2 | 0.8903 |
346 | JF2 | 0.8902 |
347 | KYA | 0.8902 |
348 | 5JT | 0.8902 |
349 | 3B4 | 0.8901 |
350 | NBG | 0.8900 |
351 | 8HC | 0.8899 |
352 | 78Y | 0.8898 |
353 | JYW | 0.8898 |
354 | D1Y | 0.8897 |
355 | MDR | 0.8897 |
356 | GXD | 0.8897 |
357 | XIF XYP | 0.8897 |
358 | 3EB | 0.8896 |
359 | GB4 | 0.8896 |
360 | MTS | 0.8895 |
361 | N88 | 0.8895 |
362 | 9KH | 0.8894 |
363 | 8GK | 0.8894 |
364 | 2K8 | 0.8893 |
365 | XYP XIF | 0.8893 |
366 | 8Y7 | 0.8893 |
367 | NGS | 0.8893 |
368 | B5A | 0.8893 |
369 | 7ZL | 0.8892 |
370 | CH8 | 0.8892 |
371 | 2UD | 0.8890 |
372 | FPL | 0.8890 |
373 | JYT | 0.8889 |
374 | 0DF | 0.8889 |
375 | 4Z1 | 0.8888 |
376 | VYM | 0.8887 |
377 | S3C | 0.8887 |
378 | 3M8 | 0.8884 |
379 | CDY | 0.8884 |
380 | A1Y | 0.8884 |
381 | 8G6 | 0.8883 |
382 | RVE | 0.8882 |
383 | KED | 0.8882 |
384 | GL6 | 0.8881 |
385 | M78 | 0.8880 |
386 | YTX | 0.8880 |
387 | AY4 | 0.8879 |
388 | MQG | 0.8879 |
389 | Y3L | 0.8877 |
390 | FYR | 0.8876 |
391 | NEO | 0.8876 |
392 | NYJ | 0.8876 |
393 | VM1 | 0.8875 |
394 | CUH | 0.8874 |
395 | IYR | 0.8874 |
396 | BHS | 0.8874 |
397 | 4NS | 0.8873 |
398 | EV2 | 0.8873 |
399 | TLG | 0.8872 |
400 | K37 | 0.8871 |
401 | NB1 | 0.8870 |
402 | LP8 | 0.8870 |
403 | PYU | 0.8869 |
404 | FY8 | 0.8868 |
405 | 4BL | 0.8868 |
406 | 5GT | 0.8867 |
407 | 4B0 | 0.8867 |
408 | HRM | 0.8867 |
409 | JYE | 0.8866 |
410 | TL6 | 0.8866 |
411 | NAL | 0.8865 |
412 | NLA | 0.8865 |
413 | TZP | 0.8864 |
414 | B21 | 0.8864 |
415 | B2E | 0.8863 |
416 | MFR | 0.8862 |
417 | 52F | 0.8862 |
418 | R52 | 0.8861 |
419 | B56 | 0.8861 |
420 | JF1 | 0.8861 |
421 | RUG | 0.8860 |
422 | 4KR | 0.8860 |
423 | 2JX | 0.8860 |
424 | H2B | 0.8860 |
425 | 6FB | 0.8859 |
426 | R5P | 0.8858 |
427 | CXH | 0.8858 |
428 | CKU | 0.8858 |
429 | 4MX | 0.8858 |
430 | BPY | 0.8857 |
431 | L3L | 0.8857 |
432 | DG2 | 0.8856 |
433 | X48 | 0.8855 |
434 | 5RP | 0.8855 |
435 | SNY | 0.8854 |
436 | XQI | 0.8853 |
437 | N1E | 0.8852 |
438 | DX5 | 0.8850 |
439 | NEU | 0.8850 |
440 | Z25 | 0.8850 |
441 | EUE | 0.8850 |
442 | 4BX | 0.8849 |
443 | GC3 | 0.8849 |
444 | BM3 | 0.8848 |
445 | NFM | 0.8848 |
446 | RP3 | 0.8847 |
447 | JOV | 0.8847 |
448 | AX3 | 0.8846 |
449 | 4BY | 0.8845 |
450 | JR2 | 0.8845 |
451 | BGU | 0.8844 |
452 | P2L | 0.8844 |
453 | GZ2 | 0.8844 |
454 | ENG | 0.8841 |
455 | TOH | 0.8841 |
456 | 96R | 0.8841 |
457 | CG8 | 0.8839 |
458 | 0W1 | 0.8839 |
459 | 4KL | 0.8837 |
460 | 57D | 0.8837 |
461 | BQ2 | 0.8836 |
462 | PW1 | 0.8834 |
463 | CMG | 0.8833 |
464 | 4XF | 0.8833 |
465 | AZY | 0.8832 |
466 | RES | 0.8832 |
467 | 2P3 | 0.8832 |
468 | NGT | 0.8830 |
469 | 1PS | 0.8829 |
470 | 2O6 | 0.8829 |
471 | 5F5 | 0.8827 |
472 | 4TP | 0.8827 |
473 | GNG | 0.8826 |
474 | 12R | 0.8826 |
475 | DHY | 0.8825 |
476 | AVX | 0.8822 |
477 | Q9T | 0.8822 |
478 | NDG | 0.8821 |
479 | UAY | 0.8821 |
480 | 3ZB | 0.8820 |
481 | 2FD | 0.8820 |
482 | BP7 | 0.8820 |
483 | 3L1 | 0.8819 |
484 | 5FL | 0.8819 |
485 | HWH | 0.8818 |
486 | UFO | 0.8818 |
487 | ASE | 0.8817 |
488 | 3JM | 0.8817 |
489 | 3SU | 0.8816 |
490 | 26E | 0.8816 |
491 | GI2 | 0.8814 |
492 | 7EH | 0.8814 |
493 | 4NP | 0.8813 |
494 | ANC | 0.8812 |
495 | 1V1 | 0.8811 |
496 | 39Z | 0.8811 |
497 | AZC | 0.8811 |
498 | 0JD | 0.8810 |
499 | 8XL | 0.8810 |
500 | 7ZC | 0.8810 |
501 | PNP | 0.8810 |
502 | 1A7 | 0.8810 |
503 | 833 | 0.8810 |
504 | STZ | 0.8809 |
505 | YX1 | 0.8809 |
506 | JCZ | 0.8809 |
507 | LR2 | 0.8806 |
508 | 0OK | 0.8806 |
509 | 1FE | 0.8806 |
510 | JY2 | 0.8805 |
511 | FSU | 0.8805 |
512 | EY7 | 0.8804 |
513 | IPT | 0.8804 |
514 | 535 | 0.8803 |
515 | QBM | 0.8803 |
516 | 6TJ | 0.8802 |
517 | E7R | 0.8802 |
518 | YE6 | 0.8801 |
519 | M3W | 0.8801 |
520 | AAN | 0.8801 |
521 | TLM | 0.8801 |
522 | 0J5 | 0.8801 |
523 | WLH | 0.8801 |
524 | NVU | 0.8800 |
525 | 20D | 0.8799 |
526 | TNX | 0.8798 |
527 | S0G | 0.8798 |
528 | 8NB | 0.8797 |
529 | II4 | 0.8797 |
530 | 1V3 | 0.8797 |
531 | 2QV | 0.8797 |
532 | 3N0 | 0.8796 |
533 | E7S | 0.8795 |
534 | MUR | 0.8795 |
535 | E35 | 0.8795 |
536 | 977 | 0.8795 |
537 | 5SP | 0.8795 |
538 | THM | 0.8793 |
539 | AVA | 0.8793 |
540 | 5AD | 0.8793 |
541 | GNM | 0.8792 |
542 | 9B3 | 0.8792 |
543 | MIL | 0.8792 |
544 | JBZ | 0.8791 |
545 | HPP | 0.8789 |
546 | RNK | 0.8788 |
547 | JXK | 0.8788 |
548 | 89J | 0.8788 |
549 | 1V4 | 0.8787 |
550 | 2LX | 0.8786 |
551 | B4L | 0.8786 |
552 | EQA | 0.8785 |
553 | P9E | 0.8785 |
554 | 5TZ | 0.8784 |
555 | AHC | 0.8783 |
556 | S7P | 0.8783 |
557 | ZZZ | 0.8783 |
558 | X2M | 0.8782 |
559 | 9UL | 0.8782 |
560 | FTV | 0.8782 |
561 | 4FF | 0.8781 |
562 | 5F1 | 0.8781 |
563 | 2DL | 0.8780 |
564 | S0D | 0.8779 |
565 | 5E4 | 0.8779 |
566 | 4CN | 0.8778 |
567 | YIP | 0.8778 |
568 | 3C4 | 0.8777 |
569 | TCA | 0.8777 |
570 | CNI | 0.8775 |
571 | GDL | 0.8775 |
572 | JTA | 0.8775 |
573 | HH6 | 0.8774 |
574 | DFL | 0.8774 |
575 | K68 | 0.8772 |
576 | M3F | 0.8772 |
577 | SSY | 0.8771 |
578 | DK1 | 0.8770 |
579 | HFT | 0.8769 |
580 | PPT | 0.8768 |
581 | A6W | 0.8768 |
582 | RSV | 0.8767 |
583 | AMQ | 0.8765 |
584 | SLY | 0.8764 |
585 | 0QW | 0.8763 |
586 | 0UL | 0.8762 |
587 | XEN | 0.8762 |
588 | 4NR | 0.8762 |
589 | GNV | 0.8762 |
590 | TZM | 0.8762 |
591 | JTH | 0.8761 |
592 | 209 | 0.8761 |
593 | MJW | 0.8761 |
594 | M4B | 0.8761 |
595 | PA5 | 0.8760 |
596 | 6QF | 0.8759 |
597 | 344 | 0.8759 |
598 | 96U | 0.8758 |
599 | W8G | 0.8758 |
600 | H2W | 0.8757 |
601 | A73 | 0.8756 |
602 | LSQ | 0.8755 |
603 | MIG | 0.8754 |
604 | S60 | 0.8753 |
605 | BK9 | 0.8752 |
606 | NWD | 0.8752 |
607 | AJD | 0.8752 |
608 | 1U7 | 0.8750 |
609 | ZSP | 0.8747 |
610 | S0E | 0.8747 |
611 | ESX | 0.8747 |
612 | 38E | 0.8746 |
613 | LTM | 0.8746 |
614 | DI6 | 0.8746 |
615 | NGW | 0.8745 |
616 | PH2 | 0.8745 |
617 | Q0K | 0.8744 |
618 | UNJ | 0.8744 |
619 | VXX | 0.8744 |
620 | 2D2 | 0.8743 |
621 | B86 | 0.8742 |
622 | 5F8 | 0.8742 |
623 | GAT | 0.8741 |
624 | LEL | 0.8741 |
625 | 26C | 0.8741 |
626 | 9ZE | 0.8741 |
627 | 7MK | 0.8740 |
628 | BEU | 0.8740 |
629 | W8L | 0.8740 |
630 | S7D | 0.8740 |
631 | 4MB | 0.8739 |
632 | 3N1 | 0.8739 |
633 | TQU | 0.8737 |
634 | BNX | 0.8736 |
635 | BZE | 0.8735 |
636 | PRL | 0.8733 |
637 | L07 | 0.8733 |
638 | DDU | 0.8731 |
639 | JXT | 0.8728 |
640 | 2T4 | 0.8727 |
641 | AKD | 0.8726 |
642 | SQ4 | 0.8726 |
643 | BC3 | 0.8725 |
644 | LQG | 0.8724 |
645 | TCR | 0.8724 |
646 | 2L2 | 0.8724 |
647 | NZ9 | 0.8724 |
648 | Q9P | 0.8723 |
649 | SZ5 | 0.8723 |
650 | 15N | 0.8722 |
651 | 3JC | 0.8721 |
652 | CBE | 0.8719 |
653 | A6H | 0.8719 |
654 | PHE | 0.8719 |
655 | PBA | 0.8718 |
656 | HQ6 | 0.8718 |
657 | 6DQ | 0.8718 |
658 | HHV | 0.8718 |
659 | 848 | 0.8718 |
660 | LDP | 0.8716 |
661 | 428 | 0.8716 |
662 | 9JT | 0.8716 |
663 | 6HO | 0.8716 |
664 | LWS | 0.8716 |
665 | TYR | 0.8715 |
666 | M3L | 0.8715 |
667 | S24 | 0.8715 |
668 | 3IP | 0.8714 |
669 | XRS | 0.8714 |
670 | C82 | 0.8713 |
671 | CKI | 0.8713 |
672 | M9N | 0.8712 |
673 | B0K | 0.8712 |
674 | M6Z | 0.8712 |
675 | CKA | 0.8712 |
676 | ATX | 0.8709 |
677 | IS2 | 0.8708 |
678 | S0W | 0.8708 |
679 | SRO | 0.8707 |
680 | 25O | 0.8707 |
681 | BZM | 0.8707 |
682 | 2O8 | 0.8706 |
683 | 27B | 0.8706 |
684 | VT3 | 0.8705 |
685 | A5H | 0.8704 |
686 | ZYW | 0.8704 |
687 | 7GP | 0.8704 |
688 | WV7 | 0.8703 |
689 | 22T | 0.8703 |
690 | Y0V | 0.8703 |
691 | QZ8 | 0.8702 |
692 | MS0 | 0.8701 |
693 | 4F8 | 0.8701 |
694 | 0DN | 0.8700 |
695 | 36E | 0.8700 |
696 | PFF | 0.8699 |
697 | CSN | 0.8699 |
698 | EMU | 0.8698 |
699 | DT7 | 0.8698 |
700 | EQW | 0.8697 |
701 | XIZ | 0.8697 |
702 | DTY | 0.8696 |
703 | 1SS | 0.8696 |
704 | ENO | 0.8695 |
705 | JND | 0.8694 |
706 | JTF | 0.8694 |
707 | MAJ | 0.8693 |
708 | ELH | 0.8693 |
709 | YEX | 0.8693 |
710 | PPY | 0.8693 |
711 | LNR | 0.8693 |
712 | HE8 | 0.8691 |
713 | ET0 | 0.8691 |
714 | CDJ | 0.8691 |
715 | TMC | 0.8689 |
716 | 14W | 0.8688 |
717 | 5VU | 0.8688 |
718 | LVD | 0.8688 |
719 | EZL | 0.8688 |
720 | 3VS | 0.8687 |
721 | AP6 | 0.8686 |
722 | 6C9 | 0.8685 |
723 | 3WN | 0.8683 |
724 | 3WO | 0.8683 |
725 | MOK | 0.8683 |
726 | HHR | 0.8682 |
727 | 25F | 0.8681 |
728 | E9L | 0.8681 |
729 | 0J4 | 0.8679 |
730 | TSS | 0.8678 |
731 | 2M8 | 0.8678 |
732 | AOY | 0.8677 |
733 | K97 | 0.8676 |
734 | FCW | 0.8676 |
735 | BIE | 0.8675 |
736 | NFZ | 0.8675 |
737 | 9VQ | 0.8674 |
738 | BA5 | 0.8674 |
739 | 54F | 0.8673 |
740 | 6KT | 0.8673 |
741 | M4E | 0.8672 |
742 | 3F4 | 0.8671 |
743 | OLU | 0.8671 |
744 | 6C8 | 0.8670 |
745 | EV3 | 0.8670 |
746 | SQ7 | 0.8667 |
747 | AYS | 0.8667 |
748 | SIZ | 0.8667 |
749 | QME | 0.8667 |
750 | L22 | 0.8666 |
751 | DNQ | 0.8665 |
752 | 4ME | 0.8665 |
753 | CUT | 0.8665 |
754 | K82 | 0.8664 |
755 | H7Y | 0.8662 |
756 | P9I | 0.8662 |
757 | E9P | 0.8661 |
758 | NLQ | 0.8661 |
759 | LLT | 0.8661 |
760 | UKV | 0.8661 |
761 | 2WU | 0.8661 |
762 | R9G | 0.8660 |
763 | 9CE | 0.8660 |
764 | 3WL | 0.8659 |
765 | 3GC | 0.8659 |
766 | 1VK | 0.8659 |
767 | AUY | 0.8658 |
768 | BHM | 0.8658 |
769 | S98 | 0.8658 |
770 | LI7 | 0.8656 |
771 | AEH | 0.8655 |
772 | H4E | 0.8654 |
773 | OA4 | 0.8654 |
774 | 92P | 0.8654 |
775 | HHT | 0.8651 |
776 | HXY | 0.8650 |
777 | F90 | 0.8650 |
778 | C53 | 0.8649 |
779 | AH9 | 0.8649 |
780 | GB5 | 0.8648 |
781 | 0XR | 0.8647 |
782 | JVQ | 0.8647 |
783 | SSM | 0.8646 |
784 | 4GU | 0.8645 |
785 | CG | 0.8645 |
786 | 4I8 | 0.8643 |
787 | JF8 | 0.8643 |
788 | KMY | 0.8643 |
789 | 12T | 0.8642 |
790 | YIE | 0.8641 |
791 | 8RK | 0.8637 |
792 | TXW | 0.8637 |
793 | R1P | 0.8637 |
794 | 9R5 | 0.8635 |
795 | 6C5 | 0.8634 |
796 | 1F1 | 0.8634 |
797 | HA5 | 0.8633 |
798 | 7VY | 0.8633 |
799 | ADN | 0.8633 |
800 | 0OP | 0.8632 |
801 | M1Z | 0.8631 |
802 | DUR | 0.8630 |
803 | JVS | 0.8627 |
804 | 6PG | 0.8627 |
805 | IA2 | 0.8624 |
806 | SOJ | 0.8624 |
807 | MCY | 0.8623 |
808 | A | 0.8623 |
809 | BSA | 0.8622 |
810 | L46 | 0.8621 |
811 | MPK | 0.8620 |
812 | S0I | 0.8620 |
813 | C2Y | 0.8620 |
814 | EOL | 0.8619 |
815 | XYP XYP | 0.8618 |
816 | IQU | 0.8618 |
817 | FZM | 0.8617 |
818 | GWM | 0.8617 |
819 | JVN | 0.8616 |
820 | ID2 | 0.8615 |
821 | A2G | 0.8615 |
822 | 5TO | 0.8614 |
823 | MW5 | 0.8614 |
824 | ZYR | 0.8614 |
825 | 7NU | 0.8614 |
826 | S7A | 0.8613 |
827 | 36M | 0.8613 |
828 | JHY | 0.8612 |
829 | YKG | 0.8612 |
830 | 289 | 0.8612 |
831 | DCZ | 0.8610 |
832 | CH9 | 0.8609 |
833 | LAO | 0.8609 |
834 | 2UZ | 0.8607 |
835 | NGO | 0.8606 |
836 | 3N4 | 0.8603 |
837 | XI7 | 0.8601 |
838 | E1P | 0.8601 |
839 | 8HH | 0.8601 |
840 | ARG | 0.8599 |
841 | GVY | 0.8598 |
842 | DX2 | 0.8595 |
843 | E4P | 0.8594 |
844 | 1X4 | 0.8592 |
845 | HCI | 0.8592 |
846 | CX6 | 0.8592 |
847 | IQQ | 0.8588 |
848 | 2SK | 0.8587 |
849 | A7H | 0.8587 |
850 | CK2 | 0.8586 |
851 | DX7 | 0.8585 |
852 | GNW | 0.8585 |
853 | AM1 | 0.8582 |
854 | 4AU | 0.8578 |
855 | 2NJ | 0.8578 |
856 | L5D | 0.8578 |
857 | DRG | 0.8576 |
858 | UXH | 0.8576 |
859 | N3W | 0.8573 |
860 | A5E | 0.8573 |
861 | 774 | 0.8573 |
862 | ISC | 0.8573 |
863 | THA | 0.8572 |
864 | S8A | 0.8571 |
865 | AXX | 0.8569 |
866 | ETS | 0.8568 |
867 | F2W | 0.8567 |
868 | 8OB | 0.8567 |
869 | U7E | 0.8566 |
870 | 293 | 0.8565 |
871 | NKI | 0.8565 |
872 | G6Q | 0.8564 |
873 | PBG | 0.8562 |
874 | LO1 | 0.8561 |
875 | SYR | 0.8558 |
876 | 9KZ | 0.8558 |
877 | NOS | 0.8558 |
878 | 6ZX | 0.8558 |
879 | CDG | 0.8556 |
880 | DNC | 0.8553 |
881 | E1K | 0.8552 |
882 | DC5 | 0.8552 |
883 | FDP | 0.8551 |
884 | 512 | 0.8551 |
885 | JRB | 0.8546 |
886 | 8DA | 0.8545 |
887 | BP3 | 0.8545 |
888 | CP6 | 0.8544 |
889 | HX8 | 0.8543 |
890 | DNA | 0.8541 |
891 | JGB | 0.8538 |
892 | HJ8 | 0.8538 |
893 | 9H2 | 0.8537 |
894 | SCT | 0.8536 |
895 | 42R | 0.8535 |
896 | GF4 | 0.8533 |
897 | 9FE | 0.8532 |
898 | NGA | 0.8530 |
899 | 64E | 0.8526 |
900 | H75 | 0.8523 |
901 | 3R6 | 0.8513 |
902 | GJB | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 1mar.bio1) has 83 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1mar.bio1) has 83 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |