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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 3 families. | |||||
1 | 6QQR | - | JDN | C8 H8 B N O2 | B(c1ccc2c(.... |
2 | 6QOA | - | JBN | C4 H4 N2 O2 | c1cnoc1C(=.... |
3 | 6QOF | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
4 | 6QQY | Kd = 0.5 uM | JD2 | C18 H14 N6 | c1ccnc(c1).... |
5 | 6QRF | Kd = 33 uM | JF5 | C11 H10 N2 O2 | c1ccc(cc1).... |
6 | 6QOJ | - | JBH | C8 H8 N2 O | c1ccc2c(c1.... |
7 | 6QR5 | Kd = 0.49 uM | JFH | C23 H25 N5 | c1cc(ccc1C.... |
8 | 6QOR | - | JBK | C6 H6 N2 O3 | c1cc(c(c(c.... |
9 | 6QON | - | J9W | C8 H5 N O3 | c1ccc2c(c1.... |
10 | 6QOO | - | JAB | C4 H4 N2 O S | c1cnoc1C(=.... |
11 | 6QOK | - | J9T | C7 H8 N2 O2 | COC(=O)c1c.... |
12 | 6QR6 | Kd = 0.027 uM | JCK | C24 H24 N6 | c1cc(ccc1C.... |
13 | 6QQS | Kd = 110 uM | JCZ | C11 H10 N4 | c1cc(cc2c1.... |
14 | 6QQZ | Kd = 0.18 uM | JEB | C18 H14 N6 | c1cc(cnc1).... |
15 | 6QO4 | - | 97T | C9 H7 N O2 | c1ccc(c(c1.... |
16 | 6QQW | Kd = 19 uM | JDQ | C18 H16 N4 | c1ccc(cc1).... |
17 | 6QQT | Kd = 59 uM | JCH | C19 H18 N4 O | COc1ccc(cc.... |
18 | 6QQQ | Kd = 6.7 uM | JDE | C17 H15 N3 O3 | COc1cc(cc(.... |
19 | 6QOC | - | J9Q | C9 H8 N2 O | c1ccc(c(c1.... |
20 | 6NW6 | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
21 | 6QO3 | - | J9N | C7 H7 N3 S | c1cc(sc1)C.... |
22 | 6QR7 | Kd = 70 nM | JEK | C25 H26 N6 | c1cc(ccc1C.... |
23 | 6QOT | Kd = 0.17 mM | 6SD | C10 H11 N3 O | COc1ccc(cc.... |
24 | 6QR0 | Kd = 0.12 uM | JFB | C18 H14 N6 | c1cc(cc2c1.... |
25 | 6QR9 | Kd = 190 nM | JEE | C24 H24 N6 O | c1cc(ccc1C.... |
26 | 6QOQ | - | JAE | C7 H6 N2 S | c1cc2c(cc1.... |
27 | 6QOD | - | FBB | C7 H5 F N2 S | c1cc2c(cc1.... |
28 | 6QOV | - | JAH | C12 H12 N2 | c1ccc(cc1).... |
29 | 6QR1 | Kd = 8.5 uM | JFT | C18 H13 Cl N6 | c1cc(cnc1).... |
30 | 6QOI | - | ABV | C7 H6 N2 S | c1ccc2c(c1.... |
31 | 6QRC | Kd = 13 uM | JFE | C19 H18 N4 O | COc1cccc(c.... |
32 | 6QOW | - | JBZ | C9 H7 N O3 S | COc1ccc2c(.... |
33 | 6QRE | Kd = 14 uM | JCQ | C12 H12 N2 O3 | COc1cccc(c.... |
34 | 6QOX | - | JA5 | C9 H9 N O3 S | COC(=O)c1c.... |
35 | 6QOG | - | JA8 | C7 H5 Br N2 S | c1cc2c(cc1.... |
36 | 6QR2 | Kd = 3.2 uM | JQB | C18 H14 N6 O | c1cc(c(nc1.... |
37 | 6QQV | Kd = 12 uM | JEW | C19 H15 N5 | c1ccc(c(c1.... |
38 | 6NW7 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
39 | 6QRA | Kd = 710 nM | JDK | C24 H27 N5 | c1cc(ccc1C.... |
40 | 6QOS | - | GOJ | C6 H8 N2 O2 | CCOC(=O)c1.... |
41 | 6QRB | Kd = 27 nM | JEQ | C25 H26 N6 | c1ccc(cc1).... |
42 | 6QR8 | Kd = 0.073 uM | JDH | C25 H27 N7 | CN1CCN(CC1.... |
43 | 6QO6 | - | 5OB | C8 H8 N2 O | COc1ccc2c(.... |
44 | 6QRD | Kd = 100 nM | JEH | C27 H31 N7 | CC(C)N1CCN.... |
45 | 6QOH | - | 6GU | C5 H4 Cl N5 | c1[nH]c2c(.... |
46 | 6QOP | - | JBQ | C8 H7 F N2 O | c1cc2c(c(c.... |
47 | 6QR3 | Kd = 0.36 uM | JE8 | C19 H22 N6 | CN1CCC[C@@.... |
48 | 6QOL | - | JB5 | C8 H7 N3 | c1cc2c(cc1.... |
49 | 6QQU | Kd = 5 uM | JF8 | C12 H9 N5 | c1cc(cc2c1.... |
50 | 6QOM | - | JBE | C5 H5 N3 O2 | c1cc(c(nc1.... |
51 | 6QRG | Kd = 10 uM | JET | C14 H14 N2 O5 | COC(=O)COc.... |
52 | 6QR4 | Kd = 0.59 uM | JD8 | C19 H22 N6 | CN1CCCC[C@.... |
53 | 6QO2 | - | JAW | C9 H8 N2 O | c1cc2c(cc[.... |
54 | 6QOU | Kd = 0.26 mM | JB8 | C8 H8 B N O2 | B(c1ccc2cc.... |
55 | 5ZHJ | Kd = 10.1 uM | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
56 | 5ZHL | Kd = 0.19 uM | 9D0 | C23 H30 N4 O2 S | CCCCCCCCNC.... |
57 | 5ZHK | - | 9D6 | C23 H28 N4 O2 S | CCN(Cc1ccc.... |
58 | 6JOF | Kd = 10.4 uM | BWR | C20 H23 N5 O2 S | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 6QQR | - | JDN | C8 H8 B N O2 | B(c1ccc2c(.... |
2 | 6QOA | - | JBN | C4 H4 N2 O2 | c1cnoc1C(=.... |
3 | 6QOF | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
4 | 6QQY | Kd = 0.5 uM | JD2 | C18 H14 N6 | c1ccnc(c1).... |
5 | 6QRF | Kd = 33 uM | JF5 | C11 H10 N2 O2 | c1ccc(cc1).... |
6 | 6QOJ | - | JBH | C8 H8 N2 O | c1ccc2c(c1.... |
7 | 6QR5 | Kd = 0.49 uM | JFH | C23 H25 N5 | c1cc(ccc1C.... |
8 | 6QOR | - | JBK | C6 H6 N2 O3 | c1cc(c(c(c.... |
9 | 6QON | - | J9W | C8 H5 N O3 | c1ccc2c(c1.... |
10 | 6QOO | - | JAB | C4 H4 N2 O S | c1cnoc1C(=.... |
11 | 6QOK | - | J9T | C7 H8 N2 O2 | COC(=O)c1c.... |
12 | 6QR6 | Kd = 0.027 uM | JCK | C24 H24 N6 | c1cc(ccc1C.... |
13 | 6QQS | Kd = 110 uM | JCZ | C11 H10 N4 | c1cc(cc2c1.... |
14 | 6QQZ | Kd = 0.18 uM | JEB | C18 H14 N6 | c1cc(cnc1).... |
15 | 6QO4 | - | 97T | C9 H7 N O2 | c1ccc(c(c1.... |
16 | 6QQW | Kd = 19 uM | JDQ | C18 H16 N4 | c1ccc(cc1).... |
17 | 6QQT | Kd = 59 uM | JCH | C19 H18 N4 O | COc1ccc(cc.... |
18 | 6QQQ | Kd = 6.7 uM | JDE | C17 H15 N3 O3 | COc1cc(cc(.... |
19 | 6QOC | - | J9Q | C9 H8 N2 O | c1ccc(c(c1.... |
20 | 6NW6 | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
21 | 6QO3 | - | J9N | C7 H7 N3 S | c1cc(sc1)C.... |
22 | 6QR7 | Kd = 70 nM | JEK | C25 H26 N6 | c1cc(ccc1C.... |
23 | 6QOT | Kd = 0.17 mM | 6SD | C10 H11 N3 O | COc1ccc(cc.... |
24 | 6QR0 | Kd = 0.12 uM | JFB | C18 H14 N6 | c1cc(cc2c1.... |
25 | 6QR9 | Kd = 190 nM | JEE | C24 H24 N6 O | c1cc(ccc1C.... |
26 | 6QOQ | - | JAE | C7 H6 N2 S | c1cc2c(cc1.... |
27 | 6QOD | - | FBB | C7 H5 F N2 S | c1cc2c(cc1.... |
28 | 6QOV | - | JAH | C12 H12 N2 | c1ccc(cc1).... |
29 | 6QR1 | Kd = 8.5 uM | JFT | C18 H13 Cl N6 | c1cc(cnc1).... |
30 | 6QOI | - | ABV | C7 H6 N2 S | c1ccc2c(c1.... |
31 | 6QRC | Kd = 13 uM | JFE | C19 H18 N4 O | COc1cccc(c.... |
32 | 6QOW | - | JBZ | C9 H7 N O3 S | COc1ccc2c(.... |
33 | 6QRE | Kd = 14 uM | JCQ | C12 H12 N2 O3 | COc1cccc(c.... |
34 | 6QOX | - | JA5 | C9 H9 N O3 S | COC(=O)c1c.... |
35 | 6QOG | - | JA8 | C7 H5 Br N2 S | c1cc2c(cc1.... |
36 | 6QR2 | Kd = 3.2 uM | JQB | C18 H14 N6 O | c1cc(c(nc1.... |
37 | 6QQV | Kd = 12 uM | JEW | C19 H15 N5 | c1ccc(c(c1.... |
38 | 6NW7 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
39 | 6QRA | Kd = 710 nM | JDK | C24 H27 N5 | c1cc(ccc1C.... |
40 | 6QOS | - | GOJ | C6 H8 N2 O2 | CCOC(=O)c1.... |
41 | 6QRB | Kd = 27 nM | JEQ | C25 H26 N6 | c1ccc(cc1).... |
42 | 6QR8 | Kd = 0.073 uM | JDH | C25 H27 N7 | CN1CCN(CC1.... |
43 | 6QO6 | - | 5OB | C8 H8 N2 O | COc1ccc2c(.... |
44 | 6QRD | Kd = 100 nM | JEH | C27 H31 N7 | CC(C)N1CCN.... |
45 | 6QOH | - | 6GU | C5 H4 Cl N5 | c1[nH]c2c(.... |
46 | 6QOP | - | JBQ | C8 H7 F N2 O | c1cc2c(c(c.... |
47 | 6QR3 | Kd = 0.36 uM | JE8 | C19 H22 N6 | CN1CCC[C@@.... |
48 | 6QOL | - | JB5 | C8 H7 N3 | c1cc2c(cc1.... |
49 | 6QQU | Kd = 5 uM | JF8 | C12 H9 N5 | c1cc(cc2c1.... |
50 | 6QOM | - | JBE | C5 H5 N3 O2 | c1cc(c(nc1.... |
51 | 6QRG | Kd = 10 uM | JET | C14 H14 N2 O5 | COC(=O)COc.... |
52 | 6QR4 | Kd = 0.59 uM | JD8 | C19 H22 N6 | CN1CCCC[C@.... |
53 | 6QO2 | - | JAW | C9 H8 N2 O | c1cc2c(cc[.... |
54 | 6QOU | Kd = 0.26 mM | JB8 | C8 H8 B N O2 | B(c1ccc2cc.... |
55 | 6JOE | Kd = 0.091 uM | BWR | C20 H23 N5 O2 S | c1cc(ccc1C.... |
56 | 4MCD | ic50 = 4.7 uM | 22L | C12 H8 N2 O S | c1ccc(cc1).... |
57 | 3AXZ | Kd = 372 uM | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
58 | 4MCC | ic50 = 0.56 uM | 21X | C15 H14 N4 O2 S | c1cc(ccc1C.... |
59 | 1UAK | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
60 | 4YVH | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
61 | 1UAL | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
62 | 1UAM | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
63 | 4YVG | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
64 | 4MCB | ic50 = 1.5 uM | 21W | C19 H18 N6 O2 S | c1cc(ccc1C.... |
65 | 5ZHJ | Kd = 10.1 uM | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
66 | 5ZHL | Kd = 0.19 uM | 9D0 | C23 H30 N4 O2 S | CCCCCCCCNC.... |
67 | 5ZHK | - | 9D6 | C23 H28 N4 O2 S | CCN(Cc1ccc.... |
68 | 6JOF | Kd = 10.4 uM | BWR | C20 H23 N5 O2 S | c1cc(ccc1C.... |
69 | 1P9P | Kd = 68 nM | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
This union binding pocket(no: 1) in the query (biounit: 6qrb.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6qrb.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |