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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 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 | Z17 | 0.9542 |
2 | Z25 | 0.9445 |
3 | NEU | 0.9326 |
4 | 7PS | 0.9252 |
5 | MPU | 0.9213 |
6 | FNT | 0.9151 |
7 | 35K | 0.9122 |
8 | PMM | 0.9121 |
9 | BIO | 0.9099 |
10 | NEO | 0.9044 |
11 | GJW | 0.9038 |
12 | 7AP | 0.9036 |
13 | RKY | 0.9034 |
14 | QNM | 0.8998 |
15 | 8Y7 | 0.8984 |
16 | M1D | 0.8983 |
17 | 14X | 0.8980 |
18 | HBI | 0.8979 |
19 | H19 | 0.8951 |
20 | 68C | 0.8950 |
21 | OAL | 0.8950 |
22 | 1CE | 0.8927 |
23 | DX6 | 0.8926 |
24 | 1EQ | 0.8890 |
25 | K74 | 0.8886 |
26 | 5M2 | 0.8881 |
27 | FMC | 0.8875 |
28 | 14Z | 0.8875 |
29 | R4E | 0.8874 |
30 | 7PJ | 0.8870 |
31 | C0V | 0.8870 |
32 | N18 | 0.8867 |
33 | E1N | 0.8866 |
34 | LVY | 0.8859 |
35 | H2B | 0.8857 |
36 | 3G3 | 0.8853 |
37 | FSU | 0.8846 |
38 | ZSP | 0.8836 |
39 | U03 | 0.8829 |
40 | WDT | 0.8827 |
41 | P9L | 0.8827 |
42 | NPS | 0.8821 |
43 | Y70 | 0.8806 |
44 | D80 | 0.8797 |
45 | HUX | 0.8794 |
46 | NOS | 0.8781 |
47 | B52 | 0.8775 |
48 | EYY | 0.8773 |
49 | MQU | 0.8773 |
50 | 8CS | 0.8771 |
51 | T1N | 0.8770 |
52 | Q9P | 0.8766 |
53 | 4AB | 0.8765 |
54 | 2L2 | 0.8764 |
55 | 26A | 0.8761 |
56 | XG1 | 0.8759 |
57 | FMB | 0.8757 |
58 | 6BC | 0.8754 |
59 | V13 | 0.8748 |
60 | X0T | 0.8746 |
61 | 3L1 | 0.8746 |
62 | HDI | 0.8741 |
63 | NAL | 0.8737 |
64 | ESJ | 0.8734 |
65 | 30A | 0.8730 |
66 | H0V | 0.8727 |
67 | D87 | 0.8726 |
68 | TOL | 0.8716 |
69 | EB5 | 0.8715 |
70 | IXG | 0.8713 |
71 | C09 | 0.8710 |
72 | 3TV | 0.8698 |
73 | QID | 0.8695 |
74 | DBS | 0.8693 |
75 | ADN | 0.8693 |
76 | WG8 | 0.8691 |
77 | NPX | 0.8686 |
78 | 3AD | 0.8684 |
79 | GW3 | 0.8681 |
80 | 5ER | 0.8680 |
81 | F91 | 0.8674 |
82 | 6MD | 0.8669 |
83 | 5FD | 0.8668 |
84 | 8DA | 0.8664 |
85 | BXS | 0.8658 |
86 | 0RY | 0.8655 |
87 | M9K | 0.8643 |
88 | 103 | 0.8640 |
89 | NWW | 0.8639 |
90 | 8EQ | 0.8628 |
91 | GMP | 0.8624 |
92 | 8OX | 0.8619 |
93 | GNG | 0.8615 |
94 | 3D1 | 0.8613 |
95 | CDY | 0.8607 |
96 | FM1 | 0.8606 |
97 | 2FA | 0.8604 |
98 | MDR | 0.8598 |
99 | G30 | 0.8591 |
100 | TBN | 0.8588 |
101 | TEF | 0.8586 |
102 | CX5 | 0.8584 |
103 | UA2 | 0.8572 |
104 | IMH | 0.8564 |
105 | K7H | 0.8560 |
106 | 0GA | 0.8555 |
107 | CTE | 0.8514 |
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 |