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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 8 families. | |||||
1 | 6YQJ | - | 6TX | C14 H20 N3 O2 S | CCCN(CC[NH.... |
2 | 6YNA | - | M77 | C14 H17 N3 O2 S | c1cc2cnccc.... |
3 | 6YQI | - | 6TV | C14 H19 N3 O2 S | CCCNCCNS(=.... |
4 | 6YNB | - | IQU | C11 H13 N3 O2 S | c1cc2cnccc.... |
5 | 6YNC | - | 7CT | C10 H10 N2 O2 S | CNS(=O)(=O.... |
6 | 6YQK | - | 7KB | C15 H19 N3 O2 S | Cc1cncc2c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4XW5 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 2UW5 | ic50 = 34 nM | GVN | C17 H16 Cl N3 | c1cc(ccc1c.... |
3 | 2JDV | - | L20 | C24 H23 N5 O | Cc1c2cc(cc.... |
4 | 2VNY | - | M02 | C10 H14 N6 | c1[nH]c2c(.... |
5 | 4IE9 | - | PZX | C11 H11 N3 O2 | Cc1cc(n[nH.... |
6 | 3FJQ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
7 | 2VO6 | - | M05 | C18 H21 Cl N5 | c1cc(ccc1C.... |
8 | 4UJ9 | - | S3N | C20 H16 F3 N3 O2 | c1cc(ccc1C.... |
9 | 1YDR | Ki = 3 uM | IQP | C14 H17 N3 O2 S | C[C@H]1CNC.... |
10 | 2C1A | ic50 = 0.17 uM | I5S | C20 H22 Cl N3 O3 S | c1cc2cnccc.... |
11 | 4UJA | - | 4L7 | C17 H14 Br N3 O2 S | c1cc2c(cc1.... |
12 | 2UW0 | - | GVK | C22 H20 Cl N5 | c1cc(ccc1c.... |
13 | 4DFX | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
14 | 3L9L | ic50 = 167 nM | L9L | C21 H19 F3 N4 O S | c1cc(ccc1C.... |
15 | 3X2V | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
16 | 3MVJ | ic50 = 3200 nM | XFE | C11 H15 N5 | Cc1c[nH]c2.... |
17 | 4HPU | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
18 | 4C35 | ic50 = 0.56 uM | NU3 | C14 H11 N3 O2 | c1cc(c2c(c.... |
19 | 4C38 | ic50 = 17.4 nM | VUP | C11 H12 N6 O | CCn1c2cc(n.... |
20 | 3ZO4 | ic50 = 149 nM | QWI | C20 H24 N6 | c1ccc(cc1).... |
21 | 2OJF | ic50 = 110 nM | 4PY | C22 H20 N6 O | c1c(cncc1O.... |
22 | 4XW4 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
23 | 2GNF | ic50 = 6 uM | Y27 | C14 H21 N3 O | C[C@H](C1C.... |
24 | 2JDS | Ki = 6.3 nM | L20 | C24 H23 N5 O | Cc1c2cc(cc.... |
25 | 3E8E | - | G98 | C24 H29 N7 O3 | CCn1c2cc(n.... |
26 | 1SVG | ic50 = 2 nM | I04 | C27 H27 F N4 O5 | COc1ccc(c(.... |
27 | 2UW3 | ic50 = 80 uM | GVG | C10 H10 N2 | Cc1c(c[nH].... |
28 | 3L9N | - | L9N | C19 H20 N6 S | Cc1ccc(cc1.... |
29 | 2UZW | Kd = 5 nM | SS4 | C22 H21 Br N4 O | Cc1c2cc(cc.... |
30 | 3X2W | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
31 | 2GNJ | Ki = 6 uM | Y27 | C14 H21 N3 O | C[C@H](C1C.... |
32 | 2VO0 | - | M03 | C18 H20 Cl N5 | c1cc(ccc1C.... |
33 | 1L3R | - | AF3 | Al F3 | F[Al](F)F |
34 | 4O21 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
35 | 6E99 | ic50 = 1 uM | J0G | C23 H26 N4 O2 | C[C@H](c1c.... |
36 | 1XH5 | Kd = 3400 nM | R68 | C33 H38 F N5 O4 | CC1(CCCN[C.... |
37 | 2JDT | - | I5S | C20 H22 Cl N3 O3 S | c1cc2cnccc.... |
38 | 2ERZ | Ki = 2.2 uM | HFS | C14 H17 N3 O3 S | c1cc2c(ccn.... |
39 | 1Q8W | Kd = 5.7 uM | M77 | C14 H17 N3 O2 S | c1cc2cnccc.... |
40 | 1STC | Ki = 8 nM | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
41 | 5UZK | Ki = 180 nM | 504 | C26 H29 N5 O2 S | c1cc(cc(c1.... |
42 | 4IAZ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
43 | 2UVX | - | GVH | C7 H6 N2 | c1cc2cc[nH.... |
44 | 4YXR | - | 0RW | C8 H8 N2 | Cc1c2ccccc.... |
45 | 1RDQ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
46 | 4YXS | - | EMU | C12 H11 N5 | c1ccc(cc1).... |
47 | 1Q8T | Kd = 17.5 uM | Y27 | C14 H21 N3 O | C[C@H](C1C.... |
48 | 4IAI | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
49 | 2UW4 | ic50 = 5.2 uM | L15 | C12 H15 N3 | Cc1c(c[nH].... |
50 | 2GNI | ic50 = 2280 nM | M77 | C14 H17 N3 O2 S | c1cc2cnccc.... |
51 | 2UVY | - | GVI | C13 H13 N5 | CNCc1ccc(c.... |
52 | 1CDK | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
53 | 5VIB | ic50 = 0.102 uM | 9D1 | C25 H26 N4 O S | c1cc(cc(c1.... |
54 | 2C1B | ic50 = 0.4 uM | CQP | C21 H22 Cl N3 O3 S | c1cc2cnccc.... |
55 | 2UW8 | ic50 = 77 uM | GVQ | C14 H14 Cl N | c1ccc(cc1).... |
56 | 3AMA | Ki = 0.297 uM | SKE | C15 H12 F2 N6 O3 S | c1cc(c(c(c.... |
57 | 2GNH | ic50 = 149 nM | H52 | C16 H21 N3 O2 S | Cc1cncc2c1.... |
58 | 4IB0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
59 | 1SVE | ic50 = 5 nM | I01 | C27 H26 F N3 O6 | COc1ccc(c(.... |
60 | 1XH4 | Kd = 34 nM | R69 | C28 H31 N5 O4 | CN(C)c1ccc.... |
61 | 2VO7 | ic50 = 168 nM | M05 | C18 H21 Cl N5 | c1cc(ccc1C.... |
62 | 2UZU | ic50 = 0.16 nM | L20 | C24 H23 N5 O | Cc1c2cc(cc.... |
63 | 4AXA | - | RKD | C17 H17 Cl N3 O | c1cc(ccc1c.... |
64 | 2F7E | ic50 = 1.3 nM | 2EA | C25 H22 N4 O | c1ccc2c(c1.... |
65 | 1XH8 | ic50 = 1700 nM | R55 | C33 H39 N5 O4 | CC1(CCN(CC.... |
66 | 3DNE | - | LL1 | C12 H9 N3 | c1ccc2c(c1.... |
67 | 4DG0 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
68 | 4C34 | - | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
69 | 4IAC | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
70 | 2UZT | ic50 = 14 nM | SS3 | C22 H22 N4 O | Cc1c2cc(cc.... |
71 | 1JBP | - | OCT | C8 H18 | CCCCCCCC |
72 | 1ATP | Kd = 60 nM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
73 | 3OW3 | ic50 = 742 nM | SMY | C22 H26 N6 O S | C[C@H]1c2c.... |
74 | 4IB3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
75 | 3ZO3 | - | QNI | C14 H20 N6 | c1[nH]c2c(.... |
76 | 4C37 | ic50 = 19.7 nM | Z21 | C10 H9 Br N6 O | CCn1c2cc(n.... |
77 | 3E8C | - | G96 | C24 H27 N7 O3 | CCn1c2cc(n.... |
78 | 1Q8U | Kd = 1.1 uM | H52 | C16 H21 N3 O2 S | Cc1cncc2c1.... |
79 | 4Z83 | - | 4L7 | C17 H14 Br N3 O2 S | c1cc2c(cc1.... |
80 | 1YDT | Ki = 48 nM | IQB | C20 H20 Br N3 O2 S | c1cc2cnccc.... |
81 | 3L9M | - | L9M | C20 H22 N6 S | Cc1ccc(cc1.... |
82 | 3AMB | Ki = 0.66 uM | VX6 | C23 H28 N8 O S | Cc1cc([nH].... |
83 | 3DND | - | LL2 | C10 H10 N2 S | c1ccc(cc1).... |
84 | 4IAK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
85 | 2UW6 | ic50 = 0.28 uM | GVO | C17 H16 Cl N3 | c1cc(ccc1c.... |
86 | 1XH7 | Kd = 150 nM | R96 | C33 H39 N5 O4 | CC1(CCCN(C.... |
87 | 3X2U | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
88 | 1XHA | - | R68 | C33 H38 F N5 O4 | CC1(CCCN[C.... |
89 | 4IAF | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
90 | 4IAD | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
91 | 3ZO1 | ic50 = 1 uM | SIJ | C14 H20 N6 | c1[nH]c2c(.... |
92 | 4HPT | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
93 | 4UJ1 | - | NVX | C19 H16 Cl N3 O2 | c1cc(cc(c1.... |
94 | 2OH0 | ic50 = 18 nM | 2PY | C23 H21 N5 O | c1cc2c(cc1.... |
95 | 4WB5 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
96 | 2F7X | ic50 = 14 nM | 4EA | C23 H22 N4 O | c1ccc2c(c1.... |
97 | 6YNT | - | LRT | C14 H18 N4 O2 S | c1cc2c(ccn.... |
98 | 2UVZ | - | GVJ | C18 H15 N5 | c1ccc(cc1).... |
99 | 3NX8 | - | IPH | C6 H6 O | c1ccc(cc1).... |
100 | 2UW7 | ic50 = 18 nM | GVP | C20 H20 Cl N3 | c1cc(ccc1c.... |
101 | 4Z84 | - | NVX | C19 H16 Cl N3 O2 | c1cc(cc(c1.... |
102 | 1XH6 | Kd = 48 nM | R94 | C31 H35 N5 O4 | c1cc(ccc1C.... |
103 | 2VNW | - | M01 | C11 H16 N6 | c1[nH]c2c(.... |
104 | 1FMO | Ki = 2.3 nM | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
105 | 2UZV | ic50 > 3 uM | SS5 | C29 H34 N4 O2 | Cc1c2cc(cc.... |
106 | 4UJ2 | - | NVV | C19 H16 I N3 O2 | c1cc(cc(c1.... |
107 | 4IB1 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
108 | 2QUR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
109 | 4XW6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
110 | 5VI9 | - | 9D4 | C19 H14 F N3 S | c1cc(cc(c1.... |
111 | 1XH9 | Kd = 17 nM | R69 | C28 H31 N5 O4 | CN(C)c1ccc.... |
112 | 2GU8 | ic50 = 0.1 nM | 796 | C19 H19 Cl2 N5 O S | CNc1nccc(n.... |
113 | 2VO3 | - | M04 | C19 H22 Cl N5 | c1cc(ccc1C.... |
114 | 4WB8 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
115 | 6YNR | - | O72 | C8 H7 N3 | c1cc2ccnc(.... |
116 | 3ZO2 | ic50 = 80 nM | 15I | C14 H20 N6 | c1[nH]c2c(.... |
117 | 1SVH | ic50 = 360 nM | I08 | C28 H28 F N3 O4 | COc1ccc(c(.... |
118 | 1YDS | Ki = 1.2 uM | IQS | C12 H15 N3 O2 S | CNCCNS(=O).... |
119 | 4IAY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
120 | 4C36 | ic50 = 19.8 nM | ZO9 | C13 H13 N5 O | c1ccc2c(c1.... |
121 | 4UJB | - | 8BQ | C19 H16 F N3 O2 | c1cc(cc(c1.... |
122 | 5VHB | - | 9CY | C21 H20 N2 O2 | c1ccc(cc1).... |
123 | 4WB7 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
124 | 6YQJ | - | 6TX | C14 H20 N3 O2 S | CCCN(CC[NH.... |
125 | 6YNA | - | M77 | C14 H17 N3 O2 S | c1cc2cnccc.... |
126 | 6YQI | - | 6TV | C14 H19 N3 O2 S | CCCNCCNS(=.... |
127 | 6YNB | - | IQU | C11 H13 N3 O2 S | c1cc2cnccc.... |
128 | 6YNC | - | 7CT | C10 H10 N2 O2 S | CNS(=O)(=O.... |
129 | 6YQK | - | 7KB | C15 H19 N3 O2 S | Cc1cncc2c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IQP | 0.9300 |
2 | U8K | 0.9107 |
3 | 3AK | 0.8916 |
4 | TQ3 | 0.8910 |
5 | D5F | 0.8904 |
6 | TQ4 | 0.8883 |
7 | S0I | 0.8868 |
8 | 12R | 0.8851 |
9 | QEI | 0.8849 |
10 | IQS | 0.8777 |
11 | 2AN | 0.8775 |
12 | Q5M | 0.8726 |
13 | IQU | 0.8710 |
14 | 4JV | 0.8707 |
15 | XYS XYS | 0.8681 |
16 | ON1 | 0.8654 |
17 | 0QV | 0.8629 |
18 | 6TX | 0.8602 |
19 | GU7 | 0.8591 |
20 | C5Q | 0.8570 |
21 | H4B | 0.8552 |
22 | SRE | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 6ync.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4OUC | 5ID | 3.96601 |
2 | 4JR7 | GNP | 24.9292 |
3 | 4UX9 | ANP | 29.1785 |
4 | 4UX9 | ANP | 29.1785 |
5 | 4UX9 | ANP | 29.1785 |
6 | 6G33 | 5ID | 31.5634 |
7 | 6G33 | 5ID | 31.5634 |
8 | 5HVJ | ANP | 32.0635 |
9 | 1O9U | ADZ | 32.5714 |
10 | 6VRF | ADP | 32.7759 |
11 | 6QF4 | ADP | 36.0856 |
12 | 4CFU | 2WC | 36.9637 |
13 | 4BCQ | TJF | 37.2093 |
14 | 3DLS | ADP | 37.9104 |
15 | 3DLS | ADP | 37.9104 |
16 | 3DLS | ADP | 37.9104 |
17 | 3DLS | ADP | 37.9104 |
18 | 3DLS | ADP | 37.9104 |
19 | 3DLS | ADP | 37.9104 |
20 | 3DLS | ADP | 37.9104 |
21 | 3KN5 | ANP | 40.9231 |
22 | 3KN5 | ANP | 40.9231 |
23 | 2V7O | DRN | 41.6667 |
24 | 3SRV | S19 | 41.8773 |
25 | 3M2W | L8I | 43.8127 |
26 | 2VZ6 | FEF | 44.0895 |
27 | 2VZ6 | FEF | 44.0895 |
28 | 6QAV | HVH | 46.0714 |
29 | 6PJX | SGV | 46.1756 |
30 | 2VN9 | GVD | 46.5116 |
31 | 2ZV2 | 609 | 47.3154 |
32 | 4WNP | 3RJ | 47.3684 |
33 | 1PHK | ATP | 47.9866 |
34 | 5JZJ | AN2 | 48.4848 |