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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1CB0 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
2 | 1SD2 | - | MTH | C12 H16 N4 O3 S | CSC[C@@H]1.... |
3 | 1CG6 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
4 | 1K27 | Ki = 1 nM | MTM | C12 H19 N5 O2 S | CSC[C@@H]1.... |
5 | 1SD1 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
6 | 6DZ0 | Kd = 0.94 nM | OS3 | C17 H23 N5 O S | C#CCCCSC[C.... |
7 | 6DZ3 | Kd = 1.3 nM | OS6 | C21 H32 N8 O S | CCCCn1cc(n.... |
8 | 6DYZ | Kd = 0.63 nM | OS2 | C15 H19 N5 O S | C#CCSC[C@H.... |
9 | 6DZ2 | Kd = 1.4 nM | OS5 | C24 H30 N8 O S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5FAK | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
2 | 5F7O | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
3 | 5F77 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
4 | 5F7X | - | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
5 | 5F76 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
6 | 5F7J | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
7 | 3T94 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
8 | 1CB0 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
9 | 1SD2 | - | MTH | C12 H16 N4 O3 S | CSC[C@@H]1.... |
10 | 1CG6 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
11 | 1K27 | Ki = 1 nM | MTM | C12 H19 N5 O2 S | CSC[C@@H]1.... |
12 | 1SD1 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
13 | 6DZ0 | Kd = 0.94 nM | OS3 | C17 H23 N5 O S | C#CCCCSC[C.... |
14 | 6DZ3 | Kd = 1.3 nM | OS6 | C21 H32 N8 O S | CCCCn1cc(n.... |
15 | 6DYZ | Kd = 0.63 nM | OS2 | C15 H19 N5 O S | C#CCSC[C@H.... |
16 | 6DZ2 | Kd = 1.4 nM | OS5 | C24 H30 N8 O S | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MTM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MTA | 1.0000 |
2 | MTH | 0.9990 |
3 | MTI | 0.9793 |
4 | M2T | 0.9747 |
5 | IMH | 0.9738 |
6 | FMC | 0.9730 |
7 | TBN | 0.9721 |
8 | ADN | 0.9717 |
9 | NOS | 0.9691 |
10 | A4D | 0.9672 |
11 | 9DI | 0.9670 |
12 | FMB | 0.9631 |
13 | TAL | 0.9629 |
14 | GMP | 0.9612 |
15 | 1DA | 0.9597 |
16 | AD3 | 0.9555 |
17 | Z8B | 0.9543 |
18 | XYA | 0.9520 |
19 | 5FD | 0.9518 |
20 | PRH | 0.9494 |
21 | DBM | 0.9469 |
22 | MDR | 0.9464 |
23 | IMG | 0.9463 |
24 | ZAS | 0.9455 |
25 | 5CD | 0.9454 |
26 | FM1 | 0.9441 |
27 | HPR | 0.9436 |
28 | 5AD | 0.9427 |
29 | NWW | 0.9420 |
30 | AFX | 0.9406 |
31 | 5NB | 0.9405 |
32 | 5N5 | 0.9403 |
33 | 5F1 | 0.9385 |
34 | Y3J | 0.9382 |
35 | IMP | 0.9375 |
36 | 3AD | 0.9374 |
37 | SNI | 0.9355 |
38 | NWQ | 0.9354 |
39 | AMP | 0.9347 |
40 | TDI | 0.9345 |
41 | N8M | 0.9338 |
42 | 5ID | 0.9338 |
43 | 2FA | 0.9330 |
44 | A | 0.9323 |
45 | NEC | 0.9320 |
46 | MTP | 0.9317 |
47 | GNG | 0.9308 |
48 | 6MD | 0.9308 |
49 | FM2 | 0.9294 |
50 | FMP | 0.9289 |
51 | 8OX | 0.9287 |
52 | RAB | 0.9284 |
53 | C1Y | 0.9272 |
54 | PUR | 0.9258 |
55 | 3D1 | 0.9254 |
56 | THM | 0.9252 |
57 | CFE | 0.9245 |
58 | 6CR | 0.9239 |
59 | 2FD | 0.9226 |
60 | URI | 0.9205 |
61 | NOC | 0.9188 |
62 | ARJ | 0.9181 |
63 | 3DH | 0.9176 |
64 | RPP | 0.9171 |
65 | 3BH | 0.9141 |
66 | FTU | 0.9133 |
67 | 5UD | 0.9127 |
68 | 26A | 0.9126 |
69 | D5M | 0.9123 |
70 | DCF | 0.9121 |
71 | 13A | 0.9120 |
72 | EKH | 0.9113 |
73 | TMP | 0.9089 |
74 | EP4 | 0.9088 |
75 | 5BT | 0.9084 |
76 | CL9 | 0.9078 |
77 | DNB | 0.9042 |
78 | 0DN | 0.9018 |
79 | UA2 | 0.9010 |
80 | 5MD | 0.8999 |
81 | CC5 | 0.8971 |
82 | 2TU | 0.8967 |
83 | MCY | 0.8962 |
84 | MG7 | 0.8957 |
85 | TIA | 0.8953 |
86 | DUR | 0.8950 |
87 | 8BR | 0.8942 |
88 | 4F0 | 0.8936 |
89 | U | 0.8930 |
90 | DIH | 0.8919 |
91 | B86 | 0.8918 |
92 | 3L1 | 0.8890 |
93 | IM5 | 0.8882 |
94 | NYM | 0.8872 |
95 | NEO | 0.8862 |
96 | 38B | 0.8857 |
97 | 7D7 | 0.8827 |
98 | XTS | 0.8822 |
99 | OS2 | 0.8804 |
100 | TKW | 0.8803 |
101 | PIR | 0.8795 |
102 | 5P7 | 0.8793 |
103 | TR7 | 0.8792 |
104 | 8OG | 0.8789 |
105 | GA2 | 0.8788 |
106 | 3DT | 0.8779 |
107 | RBV | 0.8778 |
108 | ZJB | 0.8777 |
109 | ACE TRP | 0.8774 |
110 | FDM | 0.8770 |
111 | TIZ | 0.8763 |
112 | UFP | 0.8755 |
113 | A4G | 0.8754 |
114 | CDY | 0.8753 |
115 | UMP | 0.8731 |
116 | DCM | 0.8727 |
117 | X2M | 0.8712 |
118 | 9UL | 0.8709 |
119 | NNR | 0.8705 |
120 | IWH | 0.8704 |
121 | 4EZ | 0.8701 |
122 | QBT | 0.8698 |
123 | QQY | 0.8697 |
124 | NMN | 0.8697 |
125 | MTE | 0.8686 |
126 | DDN | 0.8678 |
127 | 6TX | 0.8663 |
128 | DC | 0.8658 |
129 | SGP | 0.8657 |
130 | DA | 0.8657 |
131 | DI | 0.8655 |
132 | THU | 0.8655 |
133 | NEU | 0.8654 |
134 | 0QV | 0.8650 |
135 | TRP | 0.8646 |
136 | DU | 0.8634 |
137 | ACK | 0.8616 |
138 | 5IU | 0.8606 |
139 | QQX | 0.8605 |
140 | DOC | 0.8600 |
141 | BIG | 0.8597 |
142 | ZYV | 0.8595 |
143 | IM4 | 0.8589 |
144 | 159 | 0.8583 |
145 | 8DA | 0.8574 |
146 | 9FN | 0.8540 |
147 | TH4 | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 6dyz.bio1) has 58 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6dyz.bio1) has 58 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6dyz.bio1) has 58 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |