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- Structure Biounit | Ligand Information
- 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 261 families. | |||||
1 | 3MWL | Kd = 579 uM | 8OX | C10 H13 N5 O5 | c1nc(c2c(n.... |
2 | 2GXS | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
3 | 2GXQ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
4 | 3MWK | - | 8OP | C10 H14 N5 O8 P | c1nc(c2c(n.... |
5 | 3NBF | - | 8OP | C10 H14 N5 O8 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3MWL | Kd = 579 uM | 8OX | C10 H13 N5 O5 | c1nc(c2c(n.... |
2 | 2GXS | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
3 | 2GXQ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 0.9757 |
2 | TBN | 0.9659 |
3 | GMP | 0.9653 |
4 | NOS | 0.9647 |
5 | 5AD | 0.9629 |
6 | 1DA | 0.9623 |
7 | 9DI | 0.9619 |
8 | 5FD | 0.9616 |
9 | FMC | 0.9612 |
10 | A | 0.9612 |
11 | 5N5 | 0.9610 |
12 | AD3 | 0.9602 |
13 | FMB | 0.9601 |
14 | PRH | 0.9566 |
15 | HPR | 0.9566 |
16 | 5CD | 0.9564 |
17 | A4D | 0.9564 |
18 | DBM | 0.9557 |
19 | 5ID | 0.9548 |
20 | IMH | 0.9536 |
21 | 6CR | 0.9522 |
22 | MTA | 0.9519 |
23 | NWW | 0.9517 |
24 | 2FA | 0.9509 |
25 | PUR | 0.9504 |
26 | FTU | 0.9504 |
27 | 3D1 | 0.9500 |
28 | EKH | 0.9486 |
29 | TAL | 0.9485 |
30 | 6MD | 0.9472 |
31 | FM1 | 0.9455 |
32 | 8HG | 0.9447 |
33 | Y3J | 0.9444 |
34 | MTP | 0.9438 |
35 | FM2 | 0.9428 |
36 | 3AD | 0.9426 |
37 | 5F1 | 0.9421 |
38 | GNG | 0.9420 |
39 | MDR | 0.9416 |
40 | 4UO | 0.9415 |
41 | 5I5 | 0.9411 |
42 | XYA | 0.9404 |
43 | MTH | 0.9398 |
44 | RFZ | 0.9380 |
45 | RAB | 0.9357 |
46 | IMG | 0.9348 |
47 | UA2 | 0.9344 |
48 | CL9 | 0.9328 |
49 | MG7 | 0.9313 |
50 | 5UD | 0.9310 |
51 | 8DA | 0.9300 |
52 | MTM | 0.9287 |
53 | 2FD | 0.9269 |
54 | CFE | 0.9254 |
55 | NNR | 0.9218 |
56 | 26A | 0.9215 |
57 | DCF | 0.9213 |
58 | NWQ | 0.9212 |
59 | THM | 0.9197 |
60 | 7D7 | 0.9195 |
61 | MCY | 0.9193 |
62 | CC5 | 0.9189 |
63 | H7S | 0.9148 |
64 | CDY | 0.9142 |
65 | NIR | 0.9122 |
66 | HO4 | 0.9113 |
67 | TO1 | 0.9106 |
68 | 5MD | 0.9096 |
69 | 7CI | 0.9089 |
70 | AFX | 0.9084 |
71 | X2M | 0.9068 |
72 | ID2 | 0.9064 |
73 | MCF | 0.9061 |
74 | CTN | 0.9057 |
75 | 8P3 | 0.9055 |
76 | B86 | 0.9020 |
77 | JA3 | 0.9018 |
78 | 5BT | 0.9013 |
79 | NEC | 0.9012 |
80 | RVD | 0.8990 |
81 | RBV | 0.8986 |
82 | NEU | 0.8985 |
83 | 69K | 0.8982 |
84 | 0DN | 0.8972 |
85 | 92O | 0.8967 |
86 | TIA | 0.8962 |
87 | 3DH | 0.8961 |
88 | 3L1 | 0.8957 |
89 | H2B | 0.8945 |
90 | NEO | 0.8940 |
91 | HBI | 0.8936 |
92 | 092 | 0.8932 |
93 | 3DT | 0.8923 |
94 | 9UL | 0.8922 |
95 | EXX | 0.8922 |
96 | H4B | 0.8917 |
97 | ZYV | 0.8914 |
98 | 13A | 0.8902 |
99 | 0GA | 0.8902 |
100 | KF5 | 0.8897 |
101 | E1N | 0.8893 |
102 | XTS | 0.8892 |
103 | ACE TRP | 0.8892 |
104 | ZAS | 0.8888 |
105 | Q9P | 0.8876 |
106 | ACK | 0.8873 |
107 | MPU | 0.8866 |
108 | PE2 | 0.8865 |
109 | RVB | 0.8858 |
110 | TRP | 0.8854 |
111 | SGV | 0.8852 |
112 | 3AK | 0.8850 |
113 | TMC | 0.8840 |
114 | DBS | 0.8825 |
115 | QQX | 0.8817 |
116 | QQY | 0.8817 |
117 | MZR | 0.8815 |
118 | GA2 | 0.8813 |
119 | Z17 | 0.8807 |
120 | DIH | 0.8793 |
121 | ITW | 0.8792 |
122 | ZJB | 0.8777 |
123 | CTE | 0.8769 |
124 | TR7 | 0.8769 |
125 | 4AB | 0.8761 |
126 | 0J4 | 0.8759 |
127 | 39Z | 0.8758 |
128 | NQ7 | 0.8755 |
129 | DTE | 0.8753 |
130 | SGP | 0.8751 |
131 | BVD | 0.8746 |
132 | 38B | 0.8745 |
133 | VUP | 0.8732 |
134 | VCE | 0.8728 |
135 | 0J2 | 0.8728 |
136 | 4OG | 0.8726 |
137 | BIO | 0.8723 |
138 | DTR | 0.8720 |
139 | ZIQ | 0.8712 |
140 | THU | 0.8702 |
141 | HUX | 0.8694 |
142 | FWD | 0.8688 |
143 | 5JT | 0.8675 |
144 | 7AP | 0.8675 |
145 | Z21 | 0.8671 |
146 | 6J3 | 0.8670 |
147 | 5BX | 0.8656 |
148 | S0G | 0.8651 |
149 | XYP AHR | 0.8651 |
150 | CWD | 0.8639 |
151 | NWD | 0.8638 |
152 | ZSP | 0.8625 |
153 | DNB | 0.8622 |
154 | 0HY | 0.8619 |
155 | 188 | 0.8616 |
156 | M77 | 0.8614 |
157 | 78U | 0.8609 |
158 | M02 | 0.8597 |
159 | 4GU | 0.8577 |
160 | M2F | 0.8566 |
161 | D87 | 0.8556 |
162 | 0FR | 0.8556 |
163 | XYP XYP | 0.8523 |
164 | GLC IFM | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 3mwl.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |