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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 4EF4 | Kd = 4.42 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
2 | 5BQX | Kd = 1.6 uM | 4UR | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
3 | 6CY7 | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 6CFF | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
5 | 4KSY | Kd = 3.79 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
6 | 4LOI | Kd = 0.17 uM | 1YC | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
7 | 6XNP | ic50 = 7.8 uM | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
8 | 6S26 | - | KT2 | C21 H25 N9 O13 P2 | c1cn(c2c1c.... |
9 | 6DXG | ic50 = 14 uM | HGJ | C23 H24 N6 O3 | CCn1c(cc(n.... |
10 | 6DXL | Kd = 1.6 nM | HG4 | C34 H38 N12 O4 | CCn1c(cc(n.... |
11 | 6DNK | - | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
12 | 4EMT | Kd = 4.63 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
13 | 4QXO | Kd = 3.12 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
14 | 4QXQ | Kd = 1.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
15 | 4QXR | Kd = 0.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
16 | 4LOH | Kd = 5.3 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6IYF | Kd ~ 6 uM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
18 | 6A05 | Kd = 12.8 nM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
19 | 6A04 | Kd ~ 6 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
20 | 6A06 | Kd = 3.4 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
21 | 4KBY | Ka = 5390000 M^-1 | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
22 | 4LOK | Kd = 0.26 uM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
23 | 4LOL | Kd = 0.49 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
24 | 6XNN | - | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
25 | 5GRM | Kd = 0.12 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4EF4 | Kd = 4.42 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
2 | 5BQX | Kd = 1.6 uM | 4UR | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
3 | 6CY7 | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
4 | 6CFF | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
5 | 4KSY | Kd = 3.79 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
6 | 4LOI | Kd = 0.17 uM | 1YC | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
7 | 6XNP | ic50 = 7.8 uM | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
8 | 6S26 | - | KT2 | C21 H25 N9 O13 P2 | c1cn(c2c1c.... |
9 | 6DXG | ic50 = 14 uM | HGJ | C23 H24 N6 O3 | CCn1c(cc(n.... |
10 | 6DXL | Kd = 1.6 nM | HG4 | C34 H38 N12 O4 | CCn1c(cc(n.... |
11 | 6DNK | - | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
12 | 4EMT | Kd = 4.63 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
13 | 4QXO | Kd = 3.12 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
14 | 4QXQ | Kd = 1.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
15 | 4QXR | Kd = 0.99 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
16 | 4LOH | Kd = 5.3 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6IYF | Kd ~ 6 uM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
18 | 6A05 | Kd = 12.8 nM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
19 | 6A04 | Kd ~ 6 uM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
20 | 6A06 | Kd = 3.4 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
21 | 4KBY | Ka = 5390000 M^-1 | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
22 | 4LOK | Kd = 0.26 uM | 1YD | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
23 | 4LOL | Kd = 0.49 uM | 1YE | C17 H14 O4 | Cc1ccc2c(c.... |
24 | 6XNN | - | V67 | C15 H9 F2 N5 O3 | c1cc(nnc1C.... |
25 | 5CFM | Kd = 50 nM | 4BW | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
26 | 5CFQ | Kd < 1 nM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
27 | 5CFL | Kd = 15 nM | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
28 | 5CFP | - | C2E | C20 H24 N10 O14 P2 | c1nc2c(n1[.... |
29 | 6UKZ | ic50 = 4 nM | QBG | C28 H25 F O10 S2 | COc1cc2c(c.... |
30 | 6UKV | ic50 = 1.5 nM | QB1 | C29 H28 O10 S2 | COc1cc2cc(.... |
31 | 6UKM | - | QAD | C14 H14 O5 S | COc1cc2cc(.... |
32 | 6UKW | - | QB7 | C29 H27 F O10 S2 | COc1cc2cc(.... |
33 | 6UKX | ic50 = 17 nM | QBA | C29 H28 O10 S2 | COc1cc2cc(.... |
34 | 6UKY | ic50 = 10 nM | QBD | C29 H28 O8 S2 | COc1cc(c2c.... |
35 | 6UL0 | ic50 = 16 nM | QBJ | C29 H26 O9 S2 | COc1cc2c(c.... |
36 | 6UKU | ic50 = 8 nM | QAV | C29 H28 O8 S2 | COc1cc2c(c.... |
37 | 5GRM | Kd = 0.12 uM | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PCG | 1 | 0.986111 |
2 | C2E | 1 | 1 |
3 | 35G | 1 | 0.986111 |
4 | 1YD | 0.806818 | 1 |
5 | 4BW | 0.806818 | 1 |
6 | 5GP 5GP | 0.743902 | 0.958904 |
7 | 4UR | 0.731959 | 1 |
8 | KT2 | 0.669903 | 1 |
9 | 6SW | 0.627907 | 0.944444 |
10 | 1YC | 0.616162 | 0.972222 |
11 | 6J7 | 0.58427 | 0.934211 |
12 | CMP | 0.534091 | 0.902778 |
13 | 2BA | 0.534091 | 0.916667 |
14 | GMP | 0.53012 | 0.828947 |
15 | 1SY | 0.495575 | 1 |
16 | SGP | 0.483871 | 0.825 |
17 | 6SZ | 0.483871 | 0.916667 |
18 | 3GP | 0.478261 | 0.92 |
19 | 1OR | 0.474747 | 0.741176 |
20 | G | 0.468085 | 0.933333 |
21 | 5GP | 0.468085 | 0.933333 |
22 | 7CH | 0.467391 | 0.888889 |
23 | 6SX | 0.462366 | 0.861111 |
24 | 6JR | 0.457944 | 0.944444 |
25 | G2R | 0.457143 | 0.886076 |
26 | GPX | 0.451923 | 0.894737 |
27 | GP3 | 0.44898 | 0.947368 |
28 | 2GP | 0.446809 | 0.907895 |
29 | GP2 | 0.444444 | 0.886076 |
30 | GDP | 0.444444 | 0.921053 |
31 | GNH | 0.44 | 0.909091 |
32 | KB7 | 0.44 | 0.780488 |
33 | P2G | 0.4375 | 0.881579 |
34 | G2P | 0.436893 | 0.886076 |
35 | GMV | 0.431373 | 0.897436 |
36 | GTP | 0.431373 | 0.921053 |
37 | ALF 5GP | 0.431373 | 0.841463 |
38 | GDP BEF | 0.427184 | 0.884615 |
39 | G1R | 0.427184 | 0.909091 |
40 | GCP | 0.427184 | 0.897436 |
41 | GTP MG | 0.423077 | 0.907895 |
42 | G3D | 0.423077 | 0.933333 |
43 | GNP | 0.423077 | 0.897436 |
44 | 9GM | 0.423077 | 0.897436 |
45 | GSP | 0.423077 | 0.875 |
46 | GDP AF3 | 0.420561 | 0.841463 |
47 | G4P | 0.415094 | 0.933333 |
48 | GAV | 0.415094 | 0.886076 |
49 | P1G | 0.414141 | 0.87013 |
50 | KBD | 0.412844 | 0.825 |
51 | Y9Z | 0.410714 | 0.833333 |
52 | GDP ALF | 0.407407 | 0.841463 |
53 | N6R | 0.40708 | 0.831169 |
54 | N6S | 0.40708 | 0.831169 |
55 | G3A | 0.403509 | 0.947368 |
56 | YGP | 0.401786 | 0.876543 |
57 | GPG | 0.4 | 0.935065 |
58 | 0O2 | 0.4 | 0.933333 |
59 | G5P | 0.4 | 0.947368 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | G G | 0.9210 |
This union binding pocket(no: 1) in the query (biounit: 4ksy.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4ksy.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |