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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 | 4JPL | - | 4JP | C7 H6 N2 | c1cc2c(cc[.... |
2 | 2EUS | - | ABN | C7 H9 N | c1ccc(cc1).... |
3 | 2RBV | - | 278 | C6 H10 N2 | Cn1cccc1CN |
4 | 2EUU | - | BVG | C4 H6 N2 O | c1cnc([nH].... |
5 | 1AEH | - | 24T | C4 H6 N2 S | Cc1csc(n1).... |
6 | 5U5X | Kd = 1.3 uM | TP5 | C5 H6 N2 S | [H]/N=C(c1.... |
7 | 4JM6 | - | LG3 | C4 H6 N4 | c1cnc(nc1N.... |
8 | 4JQM | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
9 | 5UG2 | Kd ~ 712 uM | 86J | C8 H8 F N3 | Cc1c(n2cc(.... |
10 | 2RBZ | - | 282 | C6 H7 N O | COc1cccnc1 |
11 | 2RC1 | - | 285 | C6 H13 N O | CC1[C@H](O.... |
12 | 1AEU | - | 2MZ | C4 H6 N2 | Cc1[nH]ccn.... |
13 | 1AED | - | DTI | C5 H8 N S | Cc1csc[n+].... |
14 | 4JMZ | Kd = 288 uM | 1M2 | C8 H9 N3 | CNc1[nH]c2.... |
15 | 2AS4 | Kd = 7.7 mM | 3FA | C6 H5 F O2 | c1cc(c(c(c.... |
16 | 4JM9 | - | LG5 | C6 H10 N2 | CN1CC=CC(=.... |
17 | 1AEK | - | IDM | C8 H9 N | c1ccc2c(c1.... |
18 | 5U5Y | Kd = 522 uM | 7W4 | C8 H9 N3 | Cc1c(n2ccc.... |
19 | 1AEV | - | AMT | C3 H4 N2 S | c1csc(n1)N |
20 | 4A78 | - | JZ3 | C7 H8 O2 | COc1ccccc1.... |
21 | 1CMP | Kd = 0.027 mM | DMI | C5 H9 N2 | Cc1[nH+]cc.... |
22 | 2AS6 | - | 1CB | C5 H11 N | C1CCC(C1)N |
23 | 5U61 | Kd = 0.04 uM | 7WG | C6 H9 N3 | c1c([nH]c(.... |
24 | 2EUP | Kd = 0.04 mM | LG4 | C6 H8 N2 | Cc1ccc(nc1.... |
25 | 2RBY | - | 280 | C5 H6 N2 O | Cn1cncc1C=.... |
26 | 4XV5 | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
27 | 1CCI | - | DMI | C5 H9 N2 | Cc1[nH+]cc.... |
28 | 1RYC | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
29 | 5U5Z | Kd = 3472 uM | 7VP | C10 H10 N2 | Cc1c[nH]c(.... |
30 | 2AS3 | Kd = 4.1 mM | IPH | C6 H6 O | c1ccc(cc1).... |
31 | 4XV8 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
32 | 1KXM | Kd = 0.14 mM | BZI | C7 H6 N2 | c1ccc2c(c1.... |
33 | 2EUN | Kd = 0.05 mM | LG3 | C4 H6 N4 | c1cnc(nc1N.... |
34 | 4XV7 | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
35 | 4JQK | - | 1LN | C7 H11 N2 O | C1=CC=[N](.... |
36 | 2AS2 | - | 2IM | C5 H10 N2 | C1CCNC(=N).... |
37 | 2EUQ | Kd = 0.05 mM | BVC | C5 H7 N S | c1cscc1CN |
38 | 4A6Z | - | JZ3 | C7 H8 O2 | COc1ccccc1.... |
39 | 1AEB | - | 3MT | C4 H6 N S | C[n+]1ccsc.... |
40 | 4JQJ | - | 1LM | C9 H8 N2 | c1ccc2c(c1.... |
41 | 4JMA | - | 3FA | C6 H5 F O2 | c1cc(c(c(c.... |
42 | 1AET | - | 1MZ | C4 H7 N2 | Cn1cc[nH+].... |
43 | 2X08 | - | ASC | C6 H8 O6 | C([C@@H]([.... |
44 | 2AS1 | Kd = 0.02 mM | TP5 | C5 H6 N2 S | [H]/N=C(c1.... |
45 | 1AEJ | - | NVI | C5 H7 N2 | C=C[n+]1cc.... |
46 | 2Y5A | Kd = 0.055 mM | 3AP | C5 H7 N2 | c1cc(c[nH+.... |
47 | 1AEO | - | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
48 | 2EUT | - | BVF | C6 H8 N2 | Cc1ccnc(c1.... |
49 | 2RBU | - | 273 | C6 H12 N2 | [H]/N=C(C1.... |
50 | 4A71 | - | IPH | C6 H6 O | c1ccc(cc1).... |
51 | 3EXB | - | EXB GLY ALA ALA NH2 | n/a | n/a |
52 | 4JQN | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
53 | 5U5V | Kd = 29.6 uM | 7WA | C7 H7 N3 | c1cc(c2c(c.... |
54 | 5U5U | Kd = 619 uM | NTN | C6 H7 N3 | c1cnccc1C(.... |
55 | 2RC0 | - | 284 | C6 H12 N2 | C[C@H]1CCN.... |
56 | 4JPU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
57 | 1AC8 | - | TMZ | C6 H10 N S | Cc1c(sc[n+.... |
58 | 1AEQ | - | 2EZ | C5 H8 N2 | CCc1[nH]cc.... |
59 | 2RBT | - | 271 | C8 H11 N | CNCc1ccccc.... |
60 | 2ANZ | Kd = 0.06 mM | 26D | C5 H7 N3 | c1cc(nc(c1.... |
61 | 1AEF | - | 3AP | C5 H7 N2 | c1cc(c[nH+.... |
62 | 5U60 | - | 7VS | C9 H9 N3 | c1ccc2c(c1.... |
63 | 4XV4 | Kd = 68 mM | 25T | C4 H7 N2 S | Cc1c[nH+]c.... |
64 | 1AEM | - | MPI | C7 H7 N2 | c1cc[n+]2c.... |
65 | 4JPT | - | Q24 | C8 H8 N4 | c1ccc2c(c1.... |
66 | 2RBX | - | 3AY | C4 H7 N5 | c1c(nc(nc1.... |
67 | 4JM8 | - | 26D | C5 H7 N3 | c1cc(nc(c1.... |
68 | 4JMW | - | IPH | C6 H6 O | c1ccc(cc1).... |
69 | 2RBW | - | 275 | C7 H11 N2 | Cc1ccc(c[n.... |
70 | 2RC2 | - | 286 | C8 H10 N | C[n+]1cccc.... |
71 | 1AEN | - | 25T | C4 H7 N2 S | Cc1c[nH+]c.... |
72 | 2V2E | - | ISZ | C6 H5 N3 O | [H]/N=N/C(.... |
73 | 5U5W | Kd = 154 uM | 7W1 | C10 H10 N2 | Cc1cnc2ccc.... |
74 | 4JM5 | - | 25T | C4 H7 N2 S | Cc1c[nH+]c.... |
75 | 2EUO | - | LG5 | C6 H10 N2 | CN1CC=CC(=.... |
76 | 1AEG | - | 4AP | C5 H7 N2 | c1c[nH+]cc.... |
77 | 2AQD | - | DA1 | C5 H7 N3 | c1cc(ncc1N.... |
78 | 1AC4 | - | TMT | C6 H10 N S | Cc1csc([n+.... |
79 | 2EUR | - | PY7 | C6 H7 N O | c1cnccc1CO |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4JPL | - | 4JP | C7 H6 N2 | c1cc2c(cc[.... |
2 | 2EUS | - | ABN | C7 H9 N | c1ccc(cc1).... |
3 | 2RBV | - | 278 | C6 H10 N2 | Cn1cccc1CN |
4 | 2EUU | - | BVG | C4 H6 N2 O | c1cnc([nH].... |
5 | 1AEH | - | 24T | C4 H6 N2 S | Cc1csc(n1).... |
6 | 5U5X | Kd = 1.3 uM | TP5 | C5 H6 N2 S | [H]/N=C(c1.... |
7 | 4JM6 | - | LG3 | C4 H6 N4 | c1cnc(nc1N.... |
8 | 4JQM | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
9 | 5UG2 | Kd ~ 712 uM | 86J | C8 H8 F N3 | Cc1c(n2cc(.... |
10 | 2RBZ | - | 282 | C6 H7 N O | COc1cccnc1 |
11 | 2RC1 | - | 285 | C6 H13 N O | CC1[C@H](O.... |
12 | 1AEU | - | 2MZ | C4 H6 N2 | Cc1[nH]ccn.... |
13 | 1AED | - | DTI | C5 H8 N S | Cc1csc[n+].... |
14 | 4JMZ | Kd = 288 uM | 1M2 | C8 H9 N3 | CNc1[nH]c2.... |
15 | 2AS4 | Kd = 7.7 mM | 3FA | C6 H5 F O2 | c1cc(c(c(c.... |
16 | 4JM9 | - | LG5 | C6 H10 N2 | CN1CC=CC(=.... |
17 | 1AEK | - | IDM | C8 H9 N | c1ccc2c(c1.... |
18 | 5U5Y | Kd = 522 uM | 7W4 | C8 H9 N3 | Cc1c(n2ccc.... |
19 | 1AEV | - | AMT | C3 H4 N2 S | c1csc(n1)N |
20 | 4A78 | - | JZ3 | C7 H8 O2 | COc1ccccc1.... |
21 | 1CMP | Kd = 0.027 mM | DMI | C5 H9 N2 | Cc1[nH+]cc.... |
22 | 2AS6 | - | 1CB | C5 H11 N | C1CCC(C1)N |
23 | 5U61 | Kd = 0.04 uM | 7WG | C6 H9 N3 | c1c([nH]c(.... |
24 | 2EUP | Kd = 0.04 mM | LG4 | C6 H8 N2 | Cc1ccc(nc1.... |
25 | 2RBY | - | 280 | C5 H6 N2 O | Cn1cncc1C=.... |
26 | 4XV5 | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
27 | 1CCI | - | DMI | C5 H9 N2 | Cc1[nH+]cc.... |
28 | 1RYC | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
29 | 5U5Z | Kd = 3472 uM | 7VP | C10 H10 N2 | Cc1c[nH]c(.... |
30 | 2AS3 | Kd = 4.1 mM | IPH | C6 H6 O | c1ccc(cc1).... |
31 | 4XV8 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
32 | 1KXM | Kd = 0.14 mM | BZI | C7 H6 N2 | c1ccc2c(c1.... |
33 | 2EUN | Kd = 0.05 mM | LG3 | C4 H6 N4 | c1cnc(nc1N.... |
34 | 4XV7 | - | 1LQ | C8 H7 N3 | c1ccc2c(c1.... |
35 | 4JQK | - | 1LN | C7 H11 N2 O | C1=CC=[N](.... |
36 | 2AS2 | - | 2IM | C5 H10 N2 | C1CCNC(=N).... |
37 | 2EUQ | Kd = 0.05 mM | BVC | C5 H7 N S | c1cscc1CN |
38 | 4A6Z | - | JZ3 | C7 H8 O2 | COc1ccccc1.... |
39 | 1AEB | - | 3MT | C4 H6 N S | C[n+]1ccsc.... |
40 | 4JQJ | - | 1LM | C9 H8 N2 | c1ccc2c(c1.... |
41 | 4JMA | - | 3FA | C6 H5 F O2 | c1cc(c(c(c.... |
42 | 1AET | - | 1MZ | C4 H7 N2 | Cn1cc[nH+].... |
43 | 2X08 | - | ASC | C6 H8 O6 | C([C@@H]([.... |
44 | 2AS1 | Kd = 0.02 mM | TP5 | C5 H6 N2 S | [H]/N=C(c1.... |
45 | 1AEJ | - | NVI | C5 H7 N2 | C=C[n+]1cc.... |
46 | 2Y5A | Kd = 0.055 mM | 3AP | C5 H7 N2 | c1cc(c[nH+.... |
47 | 1AEO | - | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
48 | 2EUT | - | BVF | C6 H8 N2 | Cc1ccnc(c1.... |
49 | 2RBU | - | 273 | C6 H12 N2 | [H]/N=C(C1.... |
50 | 4A71 | - | IPH | C6 H6 O | c1ccc(cc1).... |
51 | 3EXB | - | EXB GLY ALA ALA NH2 | n/a | n/a |
52 | 4JQN | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
53 | 5U5V | Kd = 29.6 uM | 7WA | C7 H7 N3 | c1cc(c2c(c.... |
54 | 5U5U | Kd = 619 uM | NTN | C6 H7 N3 | c1cnccc1C(.... |
55 | 2RC0 | - | 284 | C6 H12 N2 | C[C@H]1CCN.... |
56 | 4JPU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
57 | 1AC8 | - | TMZ | C6 H10 N S | Cc1c(sc[n+.... |
58 | 1AEQ | - | 2EZ | C5 H8 N2 | CCc1[nH]cc.... |
59 | 2RBT | - | 271 | C8 H11 N | CNCc1ccccc.... |
60 | 2ANZ | Kd = 0.06 mM | 26D | C5 H7 N3 | c1cc(nc(c1.... |
61 | 1AEF | - | 3AP | C5 H7 N2 | c1cc(c[nH+.... |
62 | 5U60 | - | 7VS | C9 H9 N3 | c1ccc2c(c1.... |
63 | 4XV4 | Kd = 68 mM | 25T | C4 H7 N2 S | Cc1c[nH+]c.... |
64 | 1AEM | - | MPI | C7 H7 N2 | c1cc[n+]2c.... |
65 | 4JPT | - | Q24 | C8 H8 N4 | c1ccc2c(c1.... |
66 | 2RBX | - | 3AY | C4 H7 N5 | c1c(nc(nc1.... |
67 | 4JM8 | - | 26D | C5 H7 N3 | c1cc(nc(c1.... |
68 | 4JMW | - | IPH | C6 H6 O | c1ccc(cc1).... |
69 | 2RBW | - | 275 | C7 H11 N2 | Cc1ccc(c[n.... |
70 | 2RC2 | - | 286 | C8 H10 N | C[n+]1cccc.... |
71 | 1AEN | - | 25T | C4 H7 N2 S | Cc1c[nH+]c.... |
72 | 2V2E | - | ISZ | C6 H5 N3 O | [H]/N=N/C(.... |
73 | 5U5W | Kd = 154 uM | 7W1 | C10 H10 N2 | Cc1cnc2ccc.... |
74 | 4JM5 | - | 25T | C4 H7 N2 S | Cc1c[nH+]c.... |
75 | 2EUO | - | LG5 | C6 H10 N2 | CN1CC=CC(=.... |
76 | 1AEG | - | 4AP | C5 H7 N2 | c1c[nH+]cc.... |
77 | 2AQD | - | DA1 | C5 H7 N3 | c1cc(ncc1N.... |
78 | 1AC4 | - | TMT | C6 H10 N S | Cc1csc([n+.... |
79 | 2EUR | - | PY7 | C6 H7 N O | c1cnccc1CO |
80 | 2VCF | - | ISZ | C6 H5 N3 O | [H]/N=N/C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EXB GLY ALA ALA NH2 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5u61.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |