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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 4D8Z | Kd = 0.51 uM | 0J2 | C10 H11 N5 O4 | C[C@H](CC(.... |
2 | 4DB7 | Kd = 0.273 uM | Z25 | C9 H9 N5 O4 | C(CC(=O)O).... |
3 | 4D8A | - | 0HY | C11 H13 N5 O4 | C[C@H](CC(.... |
4 | 4DAF | Kd = 0.076 uM | 0J4 | C9 H9 N5 O4 | C[C@H](C1=.... |
5 | 3H22 | ic50 = 8 uM | B53 | C4 H5 N5 O2 | C1(=C(N=C(.... |
6 | 4NIL | - | 2O8 | C8 H6 F3 N O S | c1cc(ccc1C.... |
7 | 1TX2 | - | 680 | C5 H7 N5 O3 | CNC1=C(C(=.... |
8 | 1TWW | - | HH2 | C7 H9 N5 O8 P2 | c1c(nc2c(n.... |
9 | 3TYE | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
10 | 3H2M | ic50 = 215 uM | B61 | C11 H17 N5 O2 | CC(C)(CC1=.... |
11 | 3H24 | - | B55 | C5 H5 N5 O S | c12c([nH]c.... |
12 | 3TYC | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
13 | 3H2F | ic50 = 86.7 uM | B60 | C7 H9 N5 O | CN1CC=NC2=.... |
14 | 1TX0 | - | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
15 | 3H21 | ic50 = 19.8 uM | B52 | C10 H11 N5 O4 | C[C@H](C1=.... |
16 | 4D9P | ic50 = 145 uM | Z17 | C11 H13 N5 O4 | C[C@H](CC(.... |
17 | 3H26 | ic50 = 32.4 uM | B56 | C8 H9 N5 O3 | CN1CC(=NC2.... |
18 | 3TYD | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
19 | 4DAI | Kd = 110 nM | 0J5 | C8 H7 N5 O4 | C(C1=NNC2=.... |
20 | 4NHV | - | 2O6 | C8 H5 F3 N2 O | c1cc2c(cc1.... |
21 | 3H2N | ic50 = 212.6 uM | B62 | C7 H11 N5 O | C[C@@H]1CN.... |
22 | 4NL1 | - | Z13 | C16 H11 F6 N | c1cc(ccc1C.... |
23 | 3H23 | ic50 = 19.3 uM | B54 | C14 H15 N5 O5 | c1cc(ccc1C.... |
24 | 3H2A | ic50 = 108.9 uM | B57 | C4 H5 N5 O3 | C1(=C(N=C(.... |
25 | 4NIR | - | 6DH | C11 H11 F3 N2 O | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1AJ0 | - | SAN | C6 H8 N2 O2 S | c1cc(ccc1N.... |
2 | 5U10 | - | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
3 | 5U0W | - | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
4 | 5U0V | - | 7VJ | C5 H7 N5 O2 | CNC1=C(C(=.... |
5 | 5U14 | - | 7PV | C13 H14 N6 O3 S2 | c1cc(ccc1C.... |
6 | 5U0Z | - | 7PM | C13 H11 N5 O3 S | c1ccc(cc1).... |
7 | 5V7A | - | 8Y7 | C8 H9 N5 O3 S | Cn1c2c(nc1.... |
8 | 5U0Y | - | 7PJ | C7 H7 N5 O3 S | C(C(=O)O)S.... |
9 | 5V79 | - | 8Y4 | C14 H14 N6 O2 S | Cn1c2c(nc1.... |
10 | 5U13 | - | YH5 | C14 H13 N5 O3 S | COc1ccc(cc.... |
11 | 5U11 | - | 7PS | C8 H10 N6 O2 S | CNC(=O)CSc.... |
12 | 5U12 | - | 5RU | C12 H10 F N5 O S | c1ccc(c(c1.... |
13 | 1AJ2 | - | 2PH | C7 H11 N5 O8 P2 | C1C(=NC2=C.... |
14 | 4D8Z | Kd = 0.51 uM | 0J2 | C10 H11 N5 O4 | C[C@H](CC(.... |
15 | 4DB7 | Kd = 0.273 uM | Z25 | C9 H9 N5 O4 | C(CC(=O)O).... |
16 | 4D8A | - | 0HY | C11 H13 N5 O4 | C[C@H](CC(.... |
17 | 4DAF | Kd = 0.076 uM | 0J4 | C9 H9 N5 O4 | C[C@H](C1=.... |
18 | 3H22 | ic50 = 8 uM | B53 | C4 H5 N5 O2 | C1(=C(N=C(.... |
19 | 4NIL | - | 2O8 | C8 H6 F3 N O S | c1cc(ccc1C.... |
20 | 1TX2 | - | 680 | C5 H7 N5 O3 | CNC1=C(C(=.... |
21 | 1TWW | - | HH2 | C7 H9 N5 O8 P2 | c1c(nc2c(n.... |
22 | 3TYE | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
23 | 3H2M | ic50 = 215 uM | B61 | C11 H17 N5 O2 | CC(C)(CC1=.... |
24 | 3H24 | - | B55 | C5 H5 N5 O S | c12c([nH]c.... |
25 | 3TYC | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
26 | 3H2F | ic50 = 86.7 uM | B60 | C7 H9 N5 O | CN1CC=NC2=.... |
27 | 1TX0 | - | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
28 | 3H21 | ic50 = 19.8 uM | B52 | C10 H11 N5 O4 | C[C@H](C1=.... |
29 | 4D9P | ic50 = 145 uM | Z17 | C11 H13 N5 O4 | C[C@H](CC(.... |
30 | 3H26 | ic50 = 32.4 uM | B56 | C8 H9 N5 O3 | CN1CC(=NC2.... |
31 | 3TYD | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
32 | 4DAI | Kd = 110 nM | 0J5 | C8 H7 N5 O4 | C(C1=NNC2=.... |
33 | 4NHV | - | 2O6 | C8 H5 F3 N2 O | c1cc2c(cc1.... |
34 | 3H2N | ic50 = 212.6 uM | B62 | C7 H11 N5 O | C[C@@H]1CN.... |
35 | 4NL1 | - | Z13 | C16 H11 F6 N | c1cc(ccc1C.... |
36 | 3H23 | ic50 = 19.3 uM | B54 | C14 H15 N5 O5 | c1cc(ccc1C.... |
37 | 3H2A | ic50 = 108.9 uM | B57 | C4 H5 N5 O3 | C1(=C(N=C(.... |
38 | 4NIR | - | 6DH | C11 H11 F3 N2 O | c1cc2c(cc1.... |
39 | 1EYE | - | PMM | C7 H8 N5 O5 P | c1c(nc2c(n.... |
40 | 1AD4 | - | HH2 | C7 H9 N5 O8 P2 | c1c(nc2c(n.... |
41 | 6CLV | - | 6MB | C18 H18 N8 O4 S | Cc1c(noc1N.... |
42 | 2VEG | - | PMM | C7 H8 N5 O5 P | c1c(nc2c(n.... |
43 | 3TYZ | - | PAB | C7 H7 N O2 | c1cc(ccc1C.... |
44 | 3TZF | - | HH2 | C7 H9 N5 O8 P2 | c1c(nc2c(n.... |
45 | 5JQ9 | - | 6MB | C18 H18 N8 O4 S | Cc1c(noc1N.... |
46 | 2Y5S | - | 78H | C14 H14 N6 O3 | c1cc(ccc1C.... |
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 |
This union binding pocket(no: 1) in the query (biounit: 3h22.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3h22.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3h22.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3h22.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |