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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 9 families. | |||||
1 | 1Z35 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
2 | 1Z34 | ic50 = 0.42 mM | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
3 | 1Z38 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
4 | 1PR1 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
5 | 1OUM | - | TAL | C12 H16 N4 O4 | Cc1c2c(ncn.... |
6 | 1PR2 | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
7 | 1PR5 | Ki = 120 uM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
8 | 1PKE | - | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
9 | 1PR6 | - | XYA | C10 H13 N5 O4 | c1nc(c2c(n.... |
10 | 1PR0 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
11 | 1PK9 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
12 | 1OV6 | - | DBM | C12 H16 N4 O4 | Cc1c2c(ncn.... |
13 | 1PR4 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
14 | 1PK7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
15 | 1OVG | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
16 | 1OU4 | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
17 | 1OTY | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
18 | 3UT6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
19 | 1PW7 | - | RAB | C10 H13 N5 O4 | c1nc(c2c(n.... |
20 | 1K9S | - | FM2 | C11 H16 N5 O4 | C[n+]1cnc2.... |
21 | 1A69 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
22 | 1VHW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
23 | 5MX4 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 5MX6 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
25 | 5MX8 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 6F4X | Kd = 10.7 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
27 | 6F4W | Kd = 2.95 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
28 | 2AC7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
29 | 3UAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
30 | 3UAY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
31 | 3UAX | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
32 | 3UAW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
33 | 4DAO | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
34 | 4DA6 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
35 | 4DA7 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
36 | 4DAE | - | 6CR | C10 H12 Cl N5 O4 | c1nc2c(n1[.... |
37 | 4D9H | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
38 | 4D8V | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
39 | 4DAB | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1Z35 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
2 | 1Z34 | ic50 = 0.42 mM | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
3 | 1Z38 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
4 | 1PR1 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
5 | 1OUM | - | TAL | C12 H16 N4 O4 | Cc1c2c(ncn.... |
6 | 1PR2 | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
7 | 1PR5 | Ki = 120 uM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
8 | 1PKE | - | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
9 | 1PR6 | - | XYA | C10 H13 N5 O4 | c1nc(c2c(n.... |
10 | 1PR0 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
11 | 1PK9 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
12 | 1OV6 | - | DBM | C12 H16 N4 O4 | Cc1c2c(ncn.... |
13 | 1PR4 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
14 | 1PK7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
15 | 1OVG | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
16 | 1OU4 | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
17 | 1OTY | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
18 | 3UT6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
19 | 1PW7 | - | RAB | C10 H13 N5 O4 | c1nc(c2c(n.... |
20 | 1K9S | - | FM2 | C11 H16 N5 O4 | C[n+]1cnc2.... |
21 | 1A69 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
22 | 1VHW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
23 | 5MX4 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 5MX6 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
25 | 5MX8 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 6F4X | Kd = 10.7 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
27 | 6F4W | Kd = 2.95 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
28 | 1JDT | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
29 | 1JE1 | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
30 | 1JDZ | - | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
31 | 2AC7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
32 | 3UAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
33 | 3UAY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
34 | 3UAX | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
35 | 3UAW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
36 | 1ODI | Kd = 62 uM | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
37 | 1ODJ | Kd = 80 uM | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
38 | 4DAO | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
39 | 4DA6 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
40 | 4DA7 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
41 | 4DAE | - | 6CR | C10 H12 Cl N5 O4 | c1nc2c(n1[.... |
42 | 4D9H | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
43 | 4D8V | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
44 | 4DAB | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
45 | 3U40 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 1.0000 |
2 | TBN | 0.9982 |
3 | NOS | 0.9961 |
4 | FMB | 0.9946 |
5 | MTP | 0.9928 |
6 | IMH | 0.9881 |
7 | XYA | 0.9819 |
8 | MDR | 0.9819 |
9 | 2FA | 0.9805 |
10 | GMP | 0.9779 |
11 | TAL | 0.9768 |
12 | 6MD | 0.9749 |
13 | 26A | 0.9728 |
14 | MTA | 0.9685 |
15 | RAB | 0.9665 |
16 | A | 0.9616 |
17 | DBM | 0.9611 |
18 | 5AD | 0.9597 |
19 | 6CR | 0.9587 |
20 | A4D | 0.9578 |
21 | 2FD | 0.9567 |
22 | 3BH | 0.9503 |
23 | 9DI | 0.9501 |
24 | 1DA | 0.9485 |
25 | 3D1 | 0.9474 |
26 | 8OX | 0.9455 |
27 | AD3 | 0.9449 |
28 | MTM | 0.9441 |
29 | 5N5 | 0.9434 |
30 | GNG | 0.9433 |
31 | DNB | 0.9432 |
32 | 5ID | 0.9426 |
33 | PRH | 0.9376 |
34 | MTH | 0.9369 |
35 | 5UD | 0.9368 |
36 | HPR | 0.9367 |
37 | CL9 | 0.9366 |
38 | MTI | 0.9349 |
39 | EKH | 0.9322 |
40 | 5CD | 0.9303 |
41 | FTU | 0.9300 |
42 | 3AD | 0.9277 |
43 | 5I5 | 0.9267 |
44 | IMG | 0.9257 |
45 | MG7 | 0.9237 |
46 | NWW | 0.9222 |
47 | 5F1 | 0.9220 |
48 | 5NB | 0.9217 |
49 | THM | 0.9210 |
50 | URI | 0.9204 |
51 | CFE | 0.9204 |
52 | UA2 | 0.9193 |
53 | 38B | 0.9186 |
54 | 5FD | 0.9164 |
55 | NEO | 0.9147 |
56 | PUR | 0.9128 |
57 | 0DN | 0.9111 |
58 | MZR | 0.9091 |
59 | ZJB | 0.9084 |
60 | PIR | 0.9076 |
61 | MCY | 0.9062 |
62 | DCF | 0.9057 |
63 | B86 | 0.9056 |
64 | RPP | 0.9055 |
65 | XTS | 0.9053 |
66 | CC5 | 0.9053 |
67 | Y3J | 0.9032 |
68 | GA2 | 0.9021 |
69 | ARJ | 0.9010 |
70 | 2TU | 0.9010 |
71 | 5BT | 0.8990 |
72 | HBI | 0.8983 |
73 | QQY | 0.8978 |
74 | 13A | 0.8960 |
75 | DUR | 0.8948 |
76 | DCZ | 0.8946 |
77 | QQX | 0.8933 |
78 | H2B | 0.8929 |
79 | 5MD | 0.8927 |
80 | 4AB | 0.8920 |
81 | 5P7 | 0.8915 |
82 | NWQ | 0.8910 |
83 | H4B | 0.8908 |
84 | 1KX | 0.8902 |
85 | KF5 | 0.8900 |
86 | 6J3 | 0.8895 |
87 | 3DT | 0.8891 |
88 | NOC | 0.8879 |
89 | ZSP | 0.8868 |
90 | NEU | 0.8867 |
91 | AFX | 0.8856 |
92 | 0J4 | 0.8840 |
93 | IM5 | 0.8835 |
94 | CTE | 0.8834 |
95 | 92O | 0.8833 |
96 | CDY | 0.8830 |
97 | P2L | 0.8823 |
98 | THU | 0.8816 |
99 | BGC BMA | 0.8811 |
100 | 8DA | 0.8808 |
101 | RVD | 0.8808 |
102 | C1Y | 0.8803 |
103 | DIH | 0.8802 |
104 | KP2 | 0.8801 |
105 | E1N | 0.8801 |
106 | 3L1 | 0.8795 |
107 | AOJ | 0.8787 |
108 | TRP | 0.8787 |
109 | TR7 | 0.8785 |
110 | MEX | 0.8779 |
111 | 51Y | 0.8770 |
112 | 1ZC | 0.8767 |
113 | NQ7 | 0.8764 |
114 | MPU | 0.8758 |
115 | 78U | 0.8755 |
116 | W23 | 0.8753 |
117 | BIO | 0.8748 |
118 | 9UL | 0.8744 |
119 | Z8B | 0.8735 |
120 | WCU | 0.8735 |
121 | B5A | 0.8734 |
122 | JVQ | 0.8731 |
123 | JO5 | 0.8730 |
124 | M0N | 0.8727 |
125 | BHS | 0.8718 |
126 | TCL | 0.8692 |
127 | BGC GLC | 0.8686 |
128 | X6P | 0.8686 |
129 | JMQ | 0.8685 |
130 | JOB | 0.8684 |
131 | DDU | 0.8678 |
132 | EF2 | 0.8674 |
133 | DTE | 0.8662 |
134 | 0GA | 0.8661 |
135 | 4NR | 0.8656 |
136 | EXG | 0.8654 |
137 | TDI | 0.8646 |
138 | 7ZO | 0.8642 |
139 | ZYV | 0.8629 |
140 | RE4 | 0.8624 |
141 | B52 | 0.8622 |
142 | X29 | 0.8621 |
143 | AUT | 0.8617 |
144 | ANU | 0.8617 |
145 | BMA BMA | 0.8613 |
146 | CH8 | 0.8611 |
147 | 88R | 0.8610 |
148 | RBV | 0.8609 |
149 | 0HY | 0.8606 |
150 | LVY | 0.8602 |
151 | TCC | 0.8590 |
152 | Q0K | 0.8587 |
153 | ZIQ | 0.8585 |
154 | LZJ | 0.8585 |
155 | J84 | 0.8569 |
156 | S0G | 0.8559 |
157 | 6EL | 0.8557 |
158 | Y70 | 0.8556 |
159 | FWD | 0.8551 |
160 | X2M | 0.8538 |
161 | 96Z | 0.8522 |
162 | A4B | 0.8521 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 0.9816 |
2 | TBN | 0.9810 |
3 | FMB | 0.9794 |
4 | NOS | 0.9765 |
5 | IMH | 0.9643 |
6 | XYA | 0.9641 |
7 | MDR | 0.9618 |
8 | GMP | 0.9610 |
9 | 2FA | 0.9610 |
10 | 5AD | 0.9607 |
11 | MTP | 0.9575 |
12 | A4D | 0.9575 |
13 | MTA | 0.9559 |
14 | PRH | 0.9550 |
15 | DBM | 0.9544 |
16 | 1DA | 0.9529 |
17 | TAL | 0.9523 |
18 | A | 0.9505 |
19 | AD3 | 0.9496 |
20 | 5N5 | 0.9488 |
21 | HPR | 0.9482 |
22 | 5ID | 0.9444 |
23 | GNG | 0.9442 |
24 | 3D1 | 0.9429 |
25 | 8OX | 0.9428 |
26 | CL9 | 0.9417 |
27 | 26A | 0.9411 |
28 | 5UD | 0.9408 |
29 | RAB | 0.9371 |
30 | 6MD | 0.9371 |
31 | 2FD | 0.9365 |
32 | CFE | 0.9364 |
33 | FTU | 0.9363 |
34 | EKH | 0.9354 |
35 | 9DI | 0.9352 |
36 | 5CD | 0.9349 |
37 | 6CR | 0.9348 |
38 | 3BH | 0.9344 |
39 | 3AD | 0.9310 |
40 | MTM | 0.9294 |
41 | 5NB | 0.9290 |
42 | 5I5 | 0.9266 |
43 | DNB | 0.9260 |
44 | 5FD | 0.9248 |
45 | PUR | 0.9245 |
46 | THM | 0.9199 |
47 | NWW | 0.9196 |
48 | IMG | 0.9187 |
49 | UA2 | 0.9168 |
50 | URI | 0.9158 |
51 | DCF | 0.9142 |
52 | MTH | 0.9139 |
53 | 5F1 | 0.9139 |
54 | H7S | 0.9122 |
55 | RPP | 0.9117 |
56 | MTI | 0.9110 |
57 | 38B | 0.9098 |
58 | 7D7 | 0.9091 |
59 | 5BT | 0.9087 |
60 | MCY | 0.9072 |
61 | Y3J | 0.9071 |
62 | 3L1 | 0.9070 |
63 | NEO | 0.9066 |
64 | ARJ | 0.9063 |
65 | 13A | 0.9056 |
66 | DUR | 0.9054 |
67 | 0DN | 0.9048 |
68 | CC5 | 0.9010 |
69 | B86 | 0.8987 |
70 | NQ7 | 0.8986 |
71 | BVD | 0.8972 |
72 | WCU | 0.8946 |
73 | CDY | 0.8938 |
74 | P2L | 0.8902 |
75 | XYP AHR | 0.8899 |
76 | AFX | 0.8898 |
77 | XYP XYP | 0.8897 |
78 | RBV | 0.8886 |
79 | M0N | 0.8884 |
80 | KF5 | 0.8876 |
81 | XTS | 0.8874 |
82 | KP2 | 0.8873 |
83 | 5MD | 0.8871 |
84 | EXG | 0.8869 |
85 | 2TU | 0.8868 |
86 | 5P7 | 0.8868 |
87 | WL3 | 0.8866 |
88 | NOC | 0.8863 |
89 | X2M | 0.8861 |
90 | HBI | 0.8859 |
91 | 3DT | 0.8858 |
92 | 4RV | 0.8847 |
93 | EAJ | 0.8842 |
94 | RVD | 0.8841 |
95 | CUH | 0.8835 |
96 | GA2 | 0.8832 |
97 | 9UL | 0.8828 |
98 | 2L1 | 0.8826 |
99 | CTE | 0.8825 |
100 | TRP | 0.8818 |
101 | 8DA | 0.8814 |
102 | PIR | 0.8810 |
103 | Q8G | 0.8810 |
104 | BGC GLC | 0.8802 |
105 | Z8B | 0.8795 |
106 | IM5 | 0.8792 |
107 | DIH | 0.8790 |
108 | TCL | 0.8789 |
109 | 14Z | 0.8787 |
110 | 51Y | 0.8784 |
111 | B5A | 0.8784 |
112 | 6J3 | 0.8780 |
113 | NNR | 0.8780 |
114 | 92O | 0.8775 |
115 | TR7 | 0.8774 |
116 | 0GA | 0.8773 |
117 | LVY | 0.8772 |
118 | CUT | 0.8767 |
119 | 2L2 | 0.8766 |
120 | H4B | 0.8764 |
121 | JVQ | 0.8761 |
122 | ZJB | 0.8761 |
123 | AOJ | 0.8759 |
124 | MEX | 0.8750 |
125 | 1Q4 | 0.8746 |
126 | AX8 | 0.8746 |
127 | FT6 | 0.8743 |
128 | 3SU | 0.8743 |
129 | 78U | 0.8740 |
130 | ZIQ | 0.8739 |
131 | JO5 | 0.8739 |
132 | 27M | 0.8738 |
133 | JOB | 0.8735 |
134 | 4NR | 0.8731 |
135 | 272 | 0.8730 |
136 | MPU | 0.8730 |
137 | ZYV | 0.8720 |
138 | BGC BMA | 0.8718 |
139 | H2B | 0.8716 |
140 | EF2 | 0.8707 |
141 | THU | 0.8699 |
142 | X29 | 0.8698 |
143 | ITW | 0.8697 |
144 | NEU | 0.8690 |
145 | NWD | 0.8683 |
146 | ACE TRP | 0.8681 |
147 | Q11 | 0.8680 |
148 | 9CE | 0.8679 |
149 | TCC | 0.8673 |
150 | KW7 | 0.8669 |
151 | MBY | 0.8666 |
152 | 6EL | 0.8662 |
153 | IQW | 0.8662 |
154 | EV2 | 0.8662 |
155 | FCW | 0.8660 |
156 | TI7 | 0.8659 |
157 | 4AB | 0.8657 |
158 | 0J4 | 0.8654 |
159 | BIE | 0.8651 |
160 | 1SF | 0.8651 |
161 | AUV | 0.8649 |
162 | NWQ | 0.8647 |
163 | JMQ | 0.8646 |
164 | PFT | 0.8639 |
165 | Y70 | 0.8638 |
166 | PV1 | 0.8633 |
167 | LTN | 0.8630 |
168 | 3WO | 0.8623 |
169 | 3WN | 0.8623 |
170 | CC6 | 0.8622 |
171 | BXZ | 0.8618 |
172 | 4L2 | 0.8614 |
173 | LL1 | 0.8607 |
174 | II4 | 0.8605 |
175 | 5JT | 0.8601 |
176 | DTR | 0.8596 |
177 | 96Z | 0.8594 |
178 | CUQ | 0.8594 |
179 | X6P | 0.8591 |
180 | WS6 | 0.8589 |
181 | CJZ | 0.8572 |
182 | BDJ | 0.8569 |
183 | C1Y | 0.8569 |
184 | EXR | 0.8563 |
185 | FLF | 0.8563 |
186 | IMB | 0.8546 |
187 | XMM | 0.8543 |
188 | 4WF | 0.8534 |
189 | 4Z9 | 0.8534 |
190 | TIZ | 0.8532 |
191 | WVV | 0.8531 |
192 | GLC IFM | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 1a69.bio1) has 109 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KVY | R2B | 34.874 |
This union binding pocket(no: 2) in the query (biounit: 1a69.bio1) has 109 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1a69.bio1) has 108 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KVY | R2B | 34.874 |
This union binding pocket(no: 4) in the query (biounit: 1a69.bio1) has 108 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1a69.bio1) has 107 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1a69.bio1) has 107 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |