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- 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 10 families. | |||||
1 | 5DDZ | - | ASP ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
2 | 4MX5 | ic50 = 28 uM | 5MX | C17 H17 N7 O4 | c1ccc(cc1).... |
3 | 4HV7 | ic50 = 300 uM | 19J | C11 H11 N7 O5 | c1c(nc2c(n.... |
4 | 3PX8 | ic50 = 230 uM | JP2 | C7 H5 N5 O3 | c1c(nc2c(n.... |
5 | 5GU4 | Kd = 3.4 uM | ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
6 | 1BR6 | Ki = 0.6 mM | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
7 | 4ESI | ic50 = 70 uM | 0RB | C10 H9 N9 O2 | c1c([nH]nn.... |
8 | 4HV3 | ic50 = 115 uM | 19L | C21 H20 N8 O6 | c1ccc2c(c1.... |
9 | 1BR5 | Ki > 2 mM | NEO | C9 H11 N5 O4 | c1c(nc2c(n.... |
10 | 3EJ5 | ic50 = 0.27 mM | EJ5 | C14 H15 N3 O4 | c1cc(ccc1C.... |
11 | 4MX1 | ic50 = 209 uM | 1MX | C16 H16 N8 O3 | c1ccc(cc1).... |
12 | 3PX9 | ic50 = 380 uM | JP3 | C12 H10 N6 O3 | c1cc(oc1)C.... |
13 | 4HUO | ic50 = 20 uM | RS8 | C18 H17 N7 O5 | c1ccc(cc1).... |
14 | 2P8N | Kd = 0.7 mM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
15 | 1J1M | - | GLC GLC | n/a | n/a |
16 | 4Q2V | - | 0XE | C21 H18 O11 | c1ccc(cc1).... |
17 | 6URY | ic50 = 400 uM | R6T | C14 H9 N O2 | c1ccc2c(c1.... |
18 | 4HUP | ic50 = 15 uM | 19M | C27 H26 N8 O6 | c1ccc(cc1).... |
19 | 1IFS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
20 | 1IFU | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
21 | 3HIO | - | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
22 | 6URX | ic50 = 181 uM | JMG | C11 H8 O2 S | c1ccc(cc1).... |
23 | 2PJO | Kd = 900 mM | NMU | C2 H6 N2 O | CNC(=O)N |
24 | 2R3D | Kd = 1.4 M | ACM | C2 H5 N O | CC(=O)N |
25 | 6URW | ic50 = 32 uM | R7T | C12 H10 O2 S | c1cc(sc1)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 5DDZ | - | ASP ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
2 | 4MX5 | ic50 = 28 uM | 5MX | C17 H17 N7 O4 | c1ccc(cc1).... |
3 | 4HV7 | ic50 = 300 uM | 19J | C11 H11 N7 O5 | c1c(nc2c(n.... |
4 | 3PX8 | ic50 = 230 uM | JP2 | C7 H5 N5 O3 | c1c(nc2c(n.... |
5 | 5GU4 | Kd = 3.4 uM | ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
6 | 1BR6 | Ki = 0.6 mM | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
7 | 4ESI | ic50 = 70 uM | 0RB | C10 H9 N9 O2 | c1c([nH]nn.... |
8 | 4HV3 | ic50 = 115 uM | 19L | C21 H20 N8 O6 | c1ccc2c(c1.... |
9 | 1BR5 | Ki > 2 mM | NEO | C9 H11 N5 O4 | c1c(nc2c(n.... |
10 | 3EJ5 | ic50 = 0.27 mM | EJ5 | C14 H15 N3 O4 | c1cc(ccc1C.... |
11 | 4MX1 | ic50 = 209 uM | 1MX | C16 H16 N8 O3 | c1ccc(cc1).... |
12 | 3PX9 | ic50 = 380 uM | JP3 | C12 H10 N6 O3 | c1cc(oc1)C.... |
13 | 4HUO | ic50 = 20 uM | RS8 | C18 H17 N7 O5 | c1ccc(cc1).... |
14 | 2P8N | Kd = 0.7 mM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
15 | 1J1M | - | GLC GLC | n/a | n/a |
16 | 4Q2V | - | 0XE | C21 H18 O11 | c1ccc(cc1).... |
17 | 6URY | ic50 = 400 uM | R6T | C14 H9 N O2 | c1ccc2c(c1.... |
18 | 4HUP | ic50 = 15 uM | 19M | C27 H26 N8 O6 | c1ccc(cc1).... |
19 | 1IFS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
20 | 1IFU | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
21 | 3HIO | - | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
22 | 6URX | ic50 = 181 uM | JMG | C11 H8 O2 S | c1ccc(cc1).... |
23 | 2PJO | Kd = 900 mM | NMU | C2 H6 N2 O | CNC(=O)N |
24 | 2R3D | Kd = 1.4 M | ACM | C2 H5 N O | CC(=O)N |
25 | 6URW | ic50 = 32 uM | R7T | C12 H10 O2 S | c1cc(sc1)C.... |
26 | 6LOZ | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
27 | 6LP0 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
28 | 6LOY | - | D5M | C10 H14 N5 O6 P | c1nc(c2c(n.... |
29 | 1MRH | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
30 | 6LOQ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
31 | 6LOV | - | 4UO | C10 H12 N4 O6 | c1nc2c(n1[.... |
32 | 1MRG | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
33 | 6LOR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
34 | 3KU0 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
35 | 2QET | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
36 | 1LPC | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
37 | 1GIU | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 1MRK | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
39 | 1QD2 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
40 | 1TCS | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
41 | 1MRJ | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
42 | 1NLI | Kd = 260 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
43 | 1GIS | - | DA | C10 H14 N5 O6 P | c1nc(c2c(n.... |
44 | 1AHB | - | FMP | C10 H14 N5 O7 P | c1nc2c(c(n.... |
45 | 1AHA | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
46 | 3N1N | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
47 | 3V2K | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
48 | 3RL9 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
49 | 3SJ6 | - | RIP | C5 H10 O5 | C1[C@H]([C.... |
50 | 3U6Z | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
51 | 1J1S | - | FMP | C10 H14 N5 O7 P | c1nc2c(c(n.... |
52 | 1D6A | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
53 | 1QCJ | - | APT | C14 H13 N6 O3 | c1cc(ccc1C.... |
54 | 1QCI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
55 | 3LE7 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
56 | 5Z3J | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
57 | 5Z3I | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
58 | 3HIW | Ki = 3.9 nM | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
59 | 3HIV | Ki = 7.5 nM | TXN | C37 H52 N15 O20 P3 | CO[C@@H]1[.... |
60 | 3HIT | Ki = 6.4 nM | DYN | C30 H47 N10 O17 P3 | CO[C@@H]1[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 78H | 0.9962 |
2 | 8Y4 | 0.9382 |
3 | BRN | 0.9325 |
4 | YH2 | 0.9297 |
5 | IXF | 0.9139 |
6 | EUB | 0.9137 |
7 | 9PC | 0.9135 |
8 | 1E7 | 0.9133 |
9 | BAB | 0.9106 |
10 | 2ZT | 0.9103 |
11 | YH5 | 0.9092 |
12 | D44 | 0.9084 |
13 | A6N | 0.9047 |
14 | 8VJ | 0.9015 |
15 | 7PV | 0.9005 |
16 | FFB | 0.8988 |
17 | LJV | 0.8983 |
18 | 5YE | 0.8982 |
19 | FTJ | 0.8974 |
20 | IOC | 0.8973 |
21 | C9J | 0.8968 |
22 | AUQ | 0.8951 |
23 | 4A8 | 0.8950 |
24 | BQF | 0.8943 |
25 | JS7 | 0.8932 |
26 | INW | 0.8925 |
27 | 55C | 0.8910 |
28 | CZY | 0.8903 |
29 | TTB | 0.8895 |
30 | JBW | 0.8884 |
31 | LIH | 0.8880 |
32 | UV8 | 0.8879 |
33 | UDY | 0.8874 |
34 | 21X | 0.8869 |
35 | 4KN | 0.8865 |
36 | TCT | 0.8864 |
37 | M8J | 0.8849 |
38 | IOF | 0.8845 |
39 | BAI | 0.8824 |
40 | FZ8 | 0.8819 |
41 | A06 | 0.8813 |
42 | FO2 | 0.8809 |
43 | 6ZM | 0.8808 |
44 | KSY | 0.8795 |
45 | HCC | 0.8789 |
46 | BAO | 0.8789 |
47 | BAK | 0.8789 |
48 | EWT | 0.8774 |
49 | JZJ | 0.8769 |
50 | BUN | 0.8767 |
51 | KT1 | 0.8756 |
52 | F2B | 0.8754 |
53 | VXS | 0.8754 |
54 | INV | 0.8751 |
55 | B54 | 0.8745 |
56 | WRB | 0.8745 |
57 | EUK | 0.8740 |
58 | 17W | 0.8738 |
59 | 2RB | 0.8729 |
60 | 4BB | 0.8729 |
61 | 4P9 | 0.8728 |
62 | BXB | 0.8728 |
63 | 4KB | 0.8722 |
64 | J74 | 0.8718 |
65 | WDU | 0.8715 |
66 | FYB | 0.8712 |
67 | 9P1 | 0.8709 |
68 | KYY | 0.8707 |
69 | 4KC | 0.8701 |
70 | 87F | 0.8667 |
71 | 1W3 | 0.8662 |
72 | 1C6 | 0.8655 |
73 | N48 | 0.8655 |
74 | PWV | 0.8645 |
75 | U1T | 0.8630 |
76 | 5RU | 0.8620 |
77 | 19J | 0.8616 |
78 | GQG | 0.8610 |
79 | H0V | 0.8606 |
80 | OBI | 0.8604 |
81 | F83 | 0.8600 |
82 | HN7 | 0.8590 |
83 | IOA | 0.8582 |
84 | 873 | 0.8579 |
85 | ZX8 | 0.8566 |
86 | 80R | 0.8561 |
87 | 8JS | 0.8547 |
88 | SBW | 0.8545 |
89 | 1IR | 0.8527 |