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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6QLG | - | DMA | C5 H12 O7 P2 | CC(=CCO[P@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 4RHE | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 4ZAW | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
3 | 6QLI | - | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
4 | 4ZAF | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
5 | 6QLL | - | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
6 | 3ZQU | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
7 | 4ZAY | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
8 | 4ZAG | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
9 | 4ZAV | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
10 | 6QLK | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
11 | 4ZAX | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
12 | 6QLJ | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
13 | 4ZAL | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
14 | 6QLH | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
15 | 4ZAN | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
16 | 6QLV | - | HZZ | C10 H19 O4 P | CC(=CCC/C(.... |
17 | 4ZAZ | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
18 | 6QLG | - | DMA | C5 H12 O7 P2 | CC(=CCO[P@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | UBG | 0.534351 | 0.888889 |
9 | 5DD | 0.475248 | 0.972603 |
10 | LFN | 0.475 | 0.643836 |
11 | C3F | 0.473684 | 0.74359 |
12 | CF4 | 0.463918 | 0.734177 |
13 | FAY | 0.446043 | 0.864198 |
14 | FNR | 0.444444 | 0.909091 |
15 | RFL | 0.442857 | 0.845238 |
16 | 4LS | 0.411215 | 0.875 |
17 | 1VY | 0.406593 | 0.769231 |
18 | DLZ | 0.404494 | 0.782051 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DMA | 1 | 1 |
2 | H6P | 0.684211 | 0.815789 |
3 | 10E | 0.666667 | 0.72093 |
4 | 10D | 0.625 | 0.815789 |
5 | 10G | 0.625 | 0.794872 |
6 | GPP | 0.613636 | 0.868421 |
7 | 4LR | 0.588235 | 0.909091 |
8 | FPP | 0.5625 | 0.846154 |
9 | GRG | 0.5625 | 0.846154 |
10 | ZTP | 0.5625 | 0.825 |
11 | VTP | 0.5625 | 0.825 |
12 | OTP | 0.5625 | 0.825 |
13 | FFF | 0.5 | 0.785714 |
14 | 0CN | 0.463415 | 0.771429 |
15 | FDF | 0.454545 | 0.761905 |
16 | P23 | 0.447368 | 0.710526 |
17 | P22 | 0.444444 | 0.794118 |
18 | 0CJ | 0.431818 | 0.682927 |
19 | LA6 | 0.431373 | 0.804878 |
20 | 0FV | 0.431373 | 0.804878 |
21 | IPE | 0.428571 | 0.794872 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IPR | 0.9903 |
2 | DED | 0.9793 |
3 | DST | 0.9657 |
4 | IS3 | 0.9594 |
5 | 0CH | 0.9512 |
6 | 43W | 0.9397 |
7 | 0O3 | 0.9348 |
8 | 0K2 | 0.9338 |
9 | 2E5 | 0.9309 |
10 | 2JA | 0.9289 |
11 | 0CM | 0.9286 |
12 | EIP | 0.9251 |
13 | 2E6 | 0.9248 |
14 | P3S | 0.9241 |
15 | G88 | 0.9229 |
16 | 0CG | 0.9223 |
17 | ISY | 0.9217 |
18 | 2E4 | 0.9194 |
19 | P25 | 0.9177 |
20 | PMV | 0.9174 |
21 | 0JX | 0.9158 |
22 | 58X | 0.9141 |
23 | DLT | 0.9129 |
24 | ZZU | 0.9127 |
25 | 6FR | 0.9092 |
26 | RGP | 0.9092 |
27 | HPO | 0.9088 |
28 | BGT | 0.9063 |
29 | BHI | 0.9061 |
30 | VFG | 0.9001 |
31 | AZM | 0.8999 |
32 | 27L | 0.8983 |
33 | DG2 | 0.8963 |
34 | NLG | 0.8956 |
35 | 2E7 | 0.8949 |
36 | M8O | 0.8948 |
37 | 5RP | 0.8936 |
38 | PUW | 0.8925 |
39 | NLQ | 0.8925 |
40 | MGB | 0.8924 |
41 | 2OR | 0.8910 |
42 | GGG | 0.8906 |
43 | G01 | 0.8905 |
44 | 6C4 | 0.8895 |
45 | 3CX | 0.8888 |
46 | 5LD | 0.8883 |
47 | EGV | 0.8875 |
48 | ARG | 0.8861 |
49 | DAR | 0.8861 |
50 | AX3 | 0.8860 |
51 | ASF | 0.8857 |
52 | M3L | 0.8848 |
53 | HSA | 0.8836 |
54 | VFM | 0.8828 |
55 | NFZ | 0.8825 |
56 | 6FG | 0.8822 |
57 | 6C5 | 0.8820 |
58 | 6C8 | 0.8817 |
59 | TX4 | 0.8811 |
60 | DI9 | 0.8807 |
61 | G6Q | 0.8803 |
62 | S6P | 0.8803 |
63 | 5DS | 0.8800 |
64 | STX | 0.8798 |
65 | 64Z | 0.8792 |
66 | AHL | 0.8792 |
67 | 5TO | 0.8791 |
68 | PA5 | 0.8787 |
69 | CH5 | 0.8784 |
70 | VFJ | 0.8772 |
71 | U7E | 0.8761 |
72 | PAN | 0.8761 |
73 | GRQ | 0.8758 |
74 | C26 | 0.8756 |
75 | HS7 | 0.8753 |
76 | LEL | 0.8742 |
77 | GVA | 0.8738 |
78 | 5DL | 0.8738 |
79 | ALA GLU | 0.8732 |
80 | NBB | 0.8731 |
81 | P93 | 0.8723 |
82 | 6C9 | 0.8723 |
83 | 0F3 | 0.8719 |
84 | HJ7 | 0.8712 |
85 | EXY | 0.8710 |
86 | 23N | 0.8706 |
87 | DNN | 0.8704 |
88 | 49P | 0.8701 |
89 | 37E | 0.8701 |
90 | RES | 0.8700 |
91 | DX5 | 0.8698 |
92 | ING | 0.8696 |
93 | HCA | 0.8696 |
94 | 0M9 | 0.8686 |
95 | VM1 | 0.8685 |
96 | IVL | 0.8685 |
97 | 3EB | 0.8678 |
98 | AGP | 0.8672 |
99 | SSM | 0.8671 |
100 | DHC | 0.8671 |
101 | 5SP | 0.8669 |
102 | UN1 | 0.8669 |
103 | PML | 0.8665 |
104 | N8C | 0.8658 |
105 | 9J6 | 0.8658 |
106 | MZM | 0.8652 |
107 | SB7 | 0.8650 |
108 | KNA | 0.8646 |
109 | HRG | 0.8645 |
110 | AES | 0.8642 |
111 | 5F5 | 0.8636 |
112 | 9BF | 0.8633 |
113 | DI6 | 0.8630 |
114 | OKP | 0.8625 |
115 | KAP | 0.8624 |
116 | NPI | 0.8621 |
117 | JF5 | 0.8618 |
118 | IOP | 0.8615 |
119 | PAU | 0.8613 |
120 | R52 | 0.8606 |
121 | TBJ | 0.8605 |
122 | A5P | 0.8604 |
123 | LX1 | 0.8601 |
124 | F6R | 0.8599 |
125 | 0LO | 0.8594 |
126 | 14W | 0.8592 |
127 | MLY | 0.8585 |
128 | RIS | 0.8585 |
129 | PTB | 0.8582 |
130 | VGS | 0.8581 |
131 | ZOL | 0.8580 |
132 | TB8 | 0.8578 |
133 | M28 | 0.8564 |
134 | I2E | 0.8554 |
135 | R5P | 0.8545 |
136 | 7UC | 0.8535 |
137 | 4NP | 0.8522 |
138 | XEN | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 6qlg.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6qlg.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6qlg.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6qlg.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 6qlg.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 6qlg.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 6qlg.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 6qlg.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 6qlg.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 6qlg.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 13) in the query (biounit: 6qlg.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 14) in the query (biounit: 6qlg.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 15) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 16) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 17) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 18) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 19) in the query (biounit: 6qlg.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 20) in the query (biounit: 6qlg.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 21) in the query (biounit: 6qlg.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 22) in the query (biounit: 6qlg.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 23) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 24) in the query (biounit: 6qlg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |