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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 101 families. | |||||
1 | 2Z7S | - | P01 | C19 H25 Cl N6 O | CC(C)[C@H].... |
2 | 2Z7Q | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 2Z7R | ic50 ~ 0.4 nM | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
4 | 3UBD | Kd = 2.9 uM | SL0 | C25 H24 O12 | CC1C(C(C(C.... |
5 | 4GUE | Kd = 5.8 uM | QCT | C21 H20 O11 | C[C@H]1[C@.... |
6 | 3G51 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
7 | 4NUS | ic50 = 0.005 uM | 2NK | C22 H21 F2 N3 O | CN1CCN(CC1.... |
8 | 4NW6 | ic50 = 0.004 uM | 2NS | C23 H20 N4 O4 | COc1cc(cc(.... |
9 | 4NW5 | ic50 = 0.02 uM | 2NR | C23 H21 F N2 O5 | COc1cccc(c.... |
10 | 4EL9 | - | AFE | C21 H20 O10 | C[C@H]1[C@.... |
11 | 5D9L | ic50 = 0.024 uM | 583 | C15 H12 N2 O2 | c1cc(ccc1c.... |
12 | 4L3L | - | 5FI | C19 H21 F3 N6 | CCc1cncnc1.... |
13 | 3WE4 | ic50 = 15 nM | 5FI | C19 H21 F3 N6 | CCc1cncnc1.... |
14 | 3WF5 | ic50 = 81 nM | FZ8 | C17 H17 N7 | c1ccc2c(c1.... |
15 | 3WF7 | ic50 = 206 nM | FS9 | C18 H17 F3 N6 O | c1cc(cc(c1.... |
16 | 4L3J | - | 5FI | C19 H21 F3 N6 | CCc1cncnc1.... |
17 | 3WF6 | ic50 = 33 nM | FZ9 | C18 H16 N6 | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 2YM8 | ic50 = 0.013 uM | YM8 | C19 H19 Cl N6 O | C[C@H](CN(.... |
2 | 5OPU | Ki = 0.053 uM | A3K | C15 H12 N4 | Cc1cccc(c1.... |
3 | 5OP4 | Ki = 0.194 uM | A0T | C19 H21 F4 N5 O3 | CCNc1c(cnc.... |
4 | 2CGW | ic50 = 17.3 uM | 3C3 | C9 H15 N9 O2 | CCCn1c(nc(.... |
5 | 3F9N | ic50 = 1.3 uM | 38M | C29 H35 Cl N4 O2 S | CCCC[C@@H].... |
6 | 4JIK | ic50 = 0.018 uM | 1KO | C18 H19 Cl N6 O | c1cc(ccc1c.... |
7 | 4QYH | ic50 = 0.0013 uM | 3DX | C22 H20 N6 | CN1CCN(CC1.... |
8 | 2BRB | Ki = 13.7 uM | PFQ | C20 H17 N3 O2 | c1ccc(cc1).... |
9 | 3PA3 | ic50 = 1 nM | C70 | C18 H18 Cl N5 O S | c1cc(ccc1c.... |
10 | 5OQ6 | Ki = 0.0277 uM | 4K4 | C31 H38 N8 O3 | CN1CCN(CC1.... |
11 | 6FCF | ic50 = 0.006 uM | D58 | C20 H22 N4 O S | C[C@@H]1[C.... |
12 | 2YER | ic50 = 0.02 uM | TQ1 | C15 H12 N4 O2 | c1cc([nH]c.... |
13 | 2E9O | ic50 = 20 nM | A58 | C25 H27 N3 O2 | CC1CCC(CC1.... |
14 | 5OPB | Ki = 0.0241 uM | A1N | C21 H25 N5 O2 | C[C@@H]1CN.... |
15 | 2WMQ | - | ZYQ | C9 H11 N3 O2 S | CC(=O)Nc1n.... |
16 | 2BRO | ic50 = 1.4 uM | DF2 | C21 H20 N4 O2 | c1ccc(cc1).... |
17 | 2QHN | ic50 = 980 nM | 582 | C13 H13 N3 O | CCN1c2cccc.... |
18 | 4RVM | ic50 = 1 nM | 3X7 | C23 H21 N5 | c1cc(ccc1C.... |
19 | 5DLS | ic50 = 4.4 nM | 5CV | C31 H34 N6 O3 | CC(C)(CN(C.... |
20 | 3TKI | ic50 = 0.05 nM | S25 | C20 H23 N7 O2 S | c1cnc(cc1N.... |
21 | 2YM5 | ic50 = 0.43 uM | YM5 | C18 H21 N5 O2 | c1cc(cc(c1.... |
22 | 4HYH | ic50 = 1 nM | 1AM | C22 H22 N6 O3 S | COc1ccc2c(.... |
23 | 5OPV | Ki = 0.0515 uM | A3H | C19 H16 N6 | Cc1cccc(c1.... |
24 | 5OOT | Ki = 0.0285 uM | 4K4 | C31 H38 N8 O3 | CN1CCN(CC1.... |
25 | 1NVS | Ki = 15 nM | UCM | C24 H15 N3 O3 | c1ccc2c(c1.... |
26 | 2YDK | ic50 = 0.007 uM | YDK | C17 H20 N4 O2 S | c1ccc(cc1).... |
27 | 3OT3 | ic50 = 0.005 uM | 22K | C16 H20 Br N7 | Cn1cc(cn1).... |
28 | 2HXQ | ic50 = 144 nM | 373 | C24 H26 N4 O | c1ccc2c(c1.... |
29 | 2QHM | ic50 = 660 nM | 7CS | C16 H19 N3 O2 | CN1[C@H]2C.... |
30 | 2BRH | ic50 = 22.9 uM | DFW | C20 H15 N3 O3 | c1ccc(cc1).... |
31 | 2R0U | ic50 = 1 nM | M54 | C25 H22 N4 O2 | c1cc(cc(c1.... |
32 | 1NVR | Ki = 7.8 nM | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
33 | 3OT8 | ic50 = 0.009 uM | MI5 | C19 H22 N8 S | Cc1cc(sn1).... |
34 | 2YM4 | ic50 = 1.5 uM | 4YM | C21 H22 N6 O3 | CCOC(=O)c1.... |
35 | 4HYI | ic50 = 3 nM | 1AO | C21 H20 N6 O S | c1ccc2c(c1.... |
36 | 4RVL | ic50 = 41.7 nM | 3XL | C17 H10 N4 O | c1ccc(c(c1.... |
37 | 5JQ5 | Kd = 2341 nM | I74 | C22 H30 N6 O | CC(C)c1cnn.... |
38 | 2C6O | - | 4SP | C18 H22 N6 O3 S | c1cc(ccc1N.... |
39 | 1V1K | ic50 = 35 uM | 3FP | C22 H23 F4 N5 O2 | CN(C)C[C@H.... |
40 | 2VTJ | ic50 = 1.9 uM | LZ4 | C10 H9 Cl N4 O2 S | c1cc(ccc1N.... |
41 | 3EZV | - | EZV | C25 H25 N7 | CN1CCN(CC1.... |
42 | 3PXZ | Kd = 37 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
43 | 1W0X | - | OLO | C15 H18 N6 O | Cn1cnc2c1n.... |
44 | 2XMY | Ki = 0.11 nM | CDK | C18 H21 N5 O4 S2 | CC1=C(SC(=.... |
45 | 2UZO | ic50 = 27 uM | C62 | C14 H10 N2 O5 S2 | c1cc(ccc1c.... |
46 | 1KE7 | ic50 = 8.9 nM | LS3 | C20 H15 N3 O4 S | c1cc2c(cc1.... |
47 | 1DM2 | - | HMD | C11 H10 Br N5 O2 | C1CNC(=O)C.... |
48 | 1DI8 | ic50 = 1 uM | DTQ | C16 H15 N3 O3 | COc1cc2c(c.... |
49 | 5JQ8 | - | I73 | C22 H30 N6 O | CC(C)c1cnn.... |
50 | 6Q4H | - | HGH | C13 H11 N5 O3 | c1cc(cc(c1.... |
51 | 1GIJ | - | 2PU | C19 H22 N6 O2 | c1cc2c(c(c.... |
52 | 2R3P | ic50 = 900 nM | 3SC | C19 H12 Cl2 N6 S | c1cc(c(c(c.... |
53 | 1KE8 | ic50 = 1000 nM | LS4 | C18 H14 N4 O3 S2 | c1ccc2c(c1.... |
54 | 2C6I | ic50 = 11 uM | DT1 | C18 H22 N6 O3 S | c1cc(ccc1N.... |
55 | 1PXP | Ki = 0.22 uM | CK8 | C17 H19 N5 S | Cc1c(sc(n1.... |
56 | 6Q3C | - | BYZ | C3 H3 Br N2 | c1c(cn[nH].... |
57 | 2UZN | ic50 = 0.03 uM | C96 | C15 H13 N3 O4 S2 | [H]/N=C/1N.... |
58 | 2B55 | ic50 = 96 nM | D31 | C24 H31 N5 O2 | c1cc-2c(c(.... |
59 | 5K4J | - | 6QB | C21 H18 Cl F N6 O2 | Cn1c(ccn1).... |
60 | 3PJ8 | - | 404 | C19 H26 N6 O | CC[C@H](CO.... |
61 | 3LFQ | - | A28 | C17 H15 F2 N3 O | CCCC(=O)Nc.... |
62 | 2W05 | ic50 = 0.001 uM | FRT | C20 H26 N6 O3 S | Cc1ncc(n1C.... |
63 | 2XNB | Ki = 149 nM | Y8L | C19 H22 N6 O S | CC1=C(SC(=.... |
64 | 1HCK | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
65 | 5IEX | - | 6AF | C17 H21 Br N4 O3 S | C[C@H]([C@.... |
66 | 2R3H | ic50 = 20000 nM | SCE | C13 H13 N5 | Cc1cnc2n1c.... |
67 | 5LI9 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
68 | 3A8W | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
69 | 3OWL | ic50 = 0.67 uM | 19E | C16 H11 Cl N2 O | Cc1cnc(c2c.... |
70 | 5OYF | - | B4Q | C25 H27 N3 | CCc1ccccc1.... |
71 | 5H8G | Kd = 48.2 pM | 5Y4 | C23 H29 N9 O | CC(=O)Nc1c.... |
72 | 5OS7 | - | A8Q | C16 H19 Cl N | CC(C)c1ccc.... |
73 | 6YPJ | - | P5W | C16 H12 N2 O2 S | c1ccc(cc1).... |
74 | 5OTZ | Kd = 6.5 uM | AUT | C15 H15 Cl2 N | CCc1ccccc1.... |
75 | 6HOQ | - | FER | C10 H10 O4 | COc1cc(ccc.... |
76 | 5OUM | - | AVK | C18 H18 Cl N3 | c1ccc(cc1).... |
77 | 5B0X | ic50 = 0.02 uM | HCK | C18 H14 N2 O4 S | COc1ccc(cc.... |
78 | 5MO8 | Kd = 1.64 uM | C98 | C26 H26 Cl N3 O4 | c1ccc(cc1).... |
79 | 6RCB | ic50 = 0.33 uM | JYZ | C17 H14 N2 O4 | COc1cc(ccc.... |
80 | 3R1N | - | 05B | C22 H21 N5 O3 | c1cc2c(cc1.... |
81 | 3BWJ | Kd = 0.319 uM | ARX | C28 H47 N15 O7 | [H]/N=C(N).... |
82 | 6SPS | - | LR5 | C8 H6 F3 N O | c1cc(ccc1C.... |
83 | 6SPM | - | 3AE | C8 H5 F3 O2 | c1cc(ccc1C.... |
84 | 3AGL | Ki = 16 nM | A03 | C37 H63 N17 O9 | [H]/N=C(N).... |
85 | 6SNX | - | UNU | C7 H7 N O | c1ccc(cc1).... |
86 | 6ZN0 | - | NTN | C6 H7 N3 | c1cnccc1C(.... |
87 | 6SNN | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
88 | 1RE8 | Ki = 0.3 nM | BD2 | C27 H26 N2 O6 | c1ccc(c(c1.... |
89 | 1SZM | ic50 = 2.94 uM | BI4 | C27 H26 N4 O2 | C[N@]1CCC[.... |
90 | 1REJ | Ki = 5 nM | B1L | C20 H22 N2 O5 | c1cc(ccc1C.... |
91 | 6SPY | - | LR8 | C10 H13 N3 O2 | c1cc(ncc1C.... |
92 | 6Z08 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
93 | 2Z7Q | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
94 | 1MQ4 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
95 | 6C2R | Ki = 0.8 nM | EG7 | C24 H26 Cl F2 N5 O2 | Cc1cc(n[nH.... |
96 | 5EW9 | Ki < 0.01 nM | 5VC | C22 H21 Cl F N3 O3 S | c1cc(nc(c1.... |
97 | 5ORY | Kd = 357 uM | AY4 | C9 H6 F2 N2 O | c1c[nH]nc1.... |
98 | 4CEG | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
99 | 6VPH | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
100 | 5ORV | Kd = 1297 uM | A65 | C6 H9 N O S3 | CSc1c(c(sn.... |
101 | 5OS6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
102 | 3DJ6 | - | AK6 | C25 H24 N4 O3 S | COc1ccc(cc.... |
103 | 5OSF | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
104 | 2WQE | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
105 | 6CPF | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
106 | 6R4C | - | JRQ | C16 H22 N2 O3 | CCOC(=O)C[.... |
107 | 3FDN | ic50 = 0.033 uM | MMH | C21 H22 N6 O3 | Cc1c(c([nH.... |
108 | 5OOI | - | 9YE | C23 H25 N O3 | CC(C)n1c2c.... |
109 | 7A1Z | ic50 = 3.38 uM | QWN | C5 H2 Br Cl N4 | c1c2c(nc(c.... |
110 | 3KXH | - | K66 | C11 H9 Br4 N3 O2 | CN(C)c1nc2.... |
111 | 4DGM | ic50 = 1.2 uM | AGI | C15 H10 O5 | c1cc(ccc1C.... |
112 | 3PVG | - | K68 | C9 H4 Br4 N2 O2 | c1nc2c(n1C.... |
113 | 1ZOG | Ki = 0.07 uM | K37 | C8 H4 Br4 N2 S | CSc1[nH]c2.... |
114 | 2PVJ | Ki = 0.005 uM | P44 | C19 H21 N7 | c1ccc(cc1).... |
115 | 1P4F | - | DRG | C12 H11 N3 | c1ccc-2c(c.... |
116 | 4TXC | Kd = 0.24 uM | 38G | C24 H27 N5 O3 | CN(C)CCN[C.... |
117 | 2YAK | ic50 = 2 nM | OSV | C27 H31 F N4 O3 Ru S4 | CC(C)Oc1cc.... |
118 | 5AUY | ic50 = 1.6 uM | MRI | C15 H10 O7 | c1cc(c(cc1.... |
119 | 2HY0 | ic50 = 0.65 nM | 306 | C26 H25 N5 O | c1cc2c(cc1.... |
120 | 5LVO | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
121 | 4XX9 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
122 | 2XCK | ic50 = 713 nM | MH4 | C29 H33 N9 O | Cc1cc(ccn1.... |
123 | 3QD4 | ic50 = 6.31 nM | 3Q6 | C22 H30 N8 O2 | C[C@@H]1C[.... |
124 | 3RCJ | ic50 = 0.8 uM | 3RC | C16 H13 N5 | c1ccc(cc1).... |
125 | 2PE0 | - | 39Z | C14 H12 N2 O2 | CC(c1ccc[n.... |
126 | 4CT2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
127 | 5ACK | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
128 | 3HRC | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
129 | 5LVM | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
130 | 5MRD | ic50 = 36.4 uM | S26 | C18 H13 Cl N2 O4 S2 | CCOC(=O)C1.... |
131 | 3ION | ic50 = 8 nM | 8H1 | C28 H27 N5 O3 | COc1cc2c3c.... |
132 | 1UU7 | ic50 = 14 uM | BI2 | C27 H26 N4 O2 | C[N@@]1CCC.... |
133 | 3HRF | Kd = 10.3 uM | P47 | C17 H15 Cl O2 | c1ccc(cc1).... |
134 | 3QCS | ic50 = 0.316 uM | 3Q1 | C15 H17 N7 O | c1cc2c(cc1.... |
135 | 1H1W | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
136 | 4AW1 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
137 | 2PE2 | - | 464 | C28 H30 N6 O3 | c1cc(cc(c1.... |
138 | 3H9O | ic50 = 70 nM | 9BD | C19 H19 N5 O3 | COCCOc1cc2.... |
139 | 3QD3 | ic50 = 0.00000001 M | 3Q5 | C22 H30 N8 O2 | C[C@H]1CC[.... |
140 | 1OKY | ic50 = 6.5 nM | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
141 | 3IOP | ic50 = 17 nM | 8I1 | C28 H27 N5 O3 | COc1cc2c3c.... |
142 | 2PE1 | ic50 = 6 nM | 517 | C15 H14 N4 O2 | CC(c1ccc[n.... |
143 | 3RWP | Ki = 0.6 nM | ABQ | C24 H24 F N7 O2 | CC(C)n1cc(.... |
144 | 3NAX | - | MP7 | C28 H22 F2 N4 O4 | c1ccc(cc1).... |
145 | 3QCQ | ic50 = 0.158 uM | 3Q0 | C13 H15 N7 | CCNc1cc(nc.... |
146 | 4A06 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
147 | 2R5T | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
148 | 2JDO | ic50 = 0.23 uM | I5S | C20 H22 Cl N3 O3 S | c1cc2cnccc.... |
149 | 1O6K | - | GLY ARG PRO ARG THR THR SER PHE ALA GLU | n/a | n/a |
150 | 3E88 | Ki = 2 nM | G96 | C24 H27 N7 O3 | CCn1c2cc(n.... |
151 | 2UW9 | - | GVP | C20 H20 Cl N3 | c1cc(ccc1c.... |
152 | 2JDR | ic50 = 0.5 nM | L20 | C24 H23 N5 O | Cc1c2cc(cc.... |
153 | 3D0E | ic50 = 13 nM | G93 | C21 H27 N7 O3 | CCn1c2c(cn.... |
154 | 3UBD | Kd = 2.9 uM | SL0 | C25 H24 O12 | CC1C(C(C(C.... |
155 | 4GUE | Kd = 5.8 uM | QCT | C21 H20 O11 | C[C@H]1[C@.... |
156 | 3G51 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
157 | 4NUS | ic50 = 0.005 uM | 2NK | C22 H21 F2 N3 O | CN1CCN(CC1.... |
158 | 4NW6 | ic50 = 0.004 uM | 2NS | C23 H20 N4 O4 | COc1cc(cc(.... |
159 | 4NW5 | ic50 = 0.02 uM | 2NR | C23 H21 F N2 O5 | COc1cccc(c.... |
160 | 2W7X | ic50 = 24 nM | D1A | C18 H17 N7 O3 | [H]/N=C(N).... |
161 | 4A9U | - | A9U | C27 H28 N4 O2 | c1ccc(cc1).... |
162 | 2YCF | ic50 = 0.03 nM | YCF | C19 H24 N10 O3 | [H]/N=C(N/.... |
163 | 4BDI | ic50 = 227.7 uM | HAU | C14 H19 N3 O2 | Cc1ccc(nc1.... |
164 | 2YCR | ic50 = 69.6 nM | HCW | C23 H28 N10 O | C/C(=NNC1=.... |
165 | 2WTJ | ic50 = 0.7 uM | WTJ | C16 H20 N4 O3 S | CN(C)CCNC(.... |
166 | 4BDB | ic50 = 85.6 uM | ODO | C8 H9 N O3 | C/C(=NO)/c.... |
167 | 2YIT | ic50 = 0.29 nM | YIT | C21 H24 N6 O2 | CCC/C(=NNC.... |
168 | 2W0J | ic50 = 240 nM | ZAT | C19 H24 N10 O | [H]/N=C(N).... |
169 | 6CCY | ic50 = 0.003 uM | EX4 | C29 H33 F4 N7 O | C[C@@H]1CC.... |
170 | 3QKK | - | SMH | C28 H38 N2 O7 S | CCOCCN(C[C.... |
171 | 6NPZ | - | GLY ARG PRO ARG THR THR ZXW PHE ALA GLU | n/a | n/a |
172 | 4EKL | ic50 = 5 nM | 0RF | C24 H32 Cl N5 O2 | C[C@@H]1C[.... |
173 | 3CQW | ic50 = 42 nM | CQW | C12 H11 Cl N6 | c1c(c2c([n.... |
174 | 4GV1 | ic50 = 3 nM | 0XZ | C21 H25 Cl N6 O2 | c1cc(ccc1[.... |
175 | 3MVH | ic50 = 0.5 nM | WFE | C20 H22 F2 N6 O | CCc1c[nH]c.... |
176 | 3MV5 | ic50 = 180 nM | XFE | C11 H15 N5 | Cc1c[nH]c2.... |
177 | 3QKL | - | SMR | C29 H40 N4 O5 S | CCOCC[N@@].... |
178 | 5OTF | - | AQ5 | C20 H24 N6 | c1cnc2c(c1.... |
179 | 3TKU | ic50 = 1.92 uM | M77 | C14 H17 N3 O2 S | c1cc2cnccc.... |
180 | 3V8S | ic50 = 0.65 uM | 0HD | C16 H16 N4 O | c1ccc(cc1).... |
181 | 4OTH | ic50 = 9 nM | DRN | C25 H23 N5 O2 S | [H]/N=C(/N.... |
182 | 3A62 | - | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
183 | 3WF9 | ic50 = 567 nM | FS7 | C24 H25 N3 O5 S | C[C@H]1CCc.... |
184 | 3WF8 | ic50 = 232 nM | F76 | C23 H23 N3 O5 S | c1ccc2c(c1.... |
185 | 4L3L | - | 5FI | C19 H21 F3 N6 | CCc1cncnc1.... |
186 | 3WE4 | ic50 = 15 nM | 5FI | C19 H21 F3 N6 | CCc1cncnc1.... |
187 | 3WF5 | ic50 = 81 nM | FZ8 | C17 H17 N7 | c1ccc2c(c1.... |
188 | 2F2U | - | M77 | C14 H17 N3 O2 S | c1cc2cnccc.... |
189 | 6C0T | ic50 = 43.1 nM | EE4 | C30 H30 F N5 O5 | CCCOc1ccc(.... |
190 | 6BXI | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
191 | 5F9E | ic50 = 0.46 nM | 5VS | C23 H21 N5 O2 | CC1(NC(=O).... |
192 | 1XJD | Ki = 0.33 nM | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
193 | 3TXO | ic50 = 9 nM | 07U | C17 H19 N5 | CC(C)(CNc1.... |
194 | 1V0P | ic50 = 0.13 uM | PVB | C20 H25 Cl N6 O3 | CC(C)[C@H].... |
195 | 1V0O | ic50 = 5.5 uM | INR | C16 H10 N2 O5 S | c1ccc2c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ANP | 1 | 1 |
2 | A2D | 0.810811 | 0.945205 |
3 | ADP | 0.802632 | 0.972222 |
4 | AP5 | 0.802632 | 0.945205 |
5 | B4P | 0.802632 | 0.945205 |
6 | BA3 | 0.789474 | 0.945205 |
7 | AU1 | 0.782051 | 1 |
8 | ATP | 0.772152 | 0.972222 |
9 | HEJ | 0.772152 | 0.972222 |
10 | AN2 | 0.769231 | 0.986111 |
11 | AT4 | 0.769231 | 0.933333 |
12 | AQP | 0.7625 | 0.972222 |
13 | 5FA | 0.7625 | 0.972222 |
14 | M33 | 0.759494 | 0.932432 |
15 | MAP | 0.752941 | 0.972973 |
16 | ACP | 0.75 | 0.945946 |
17 | APR | 0.740741 | 0.945205 |
18 | AR6 | 0.740741 | 0.945205 |
19 | ACQ | 0.73494 | 0.945946 |
20 | AD9 | 0.731707 | 0.945946 |
21 | AGS | 0.731707 | 0.921053 |
22 | KG4 | 0.728395 | 0.92 |
23 | AMP | 0.723684 | 0.944444 |
24 | A | 0.723684 | 0.944444 |
25 | ATF | 0.717647 | 0.933333 |
26 | CA0 | 0.716049 | 0.92 |
27 | ADX | 0.716049 | 0.851852 |
28 | 6YZ | 0.709302 | 0.945946 |
29 | 50T | 0.707317 | 0.932432 |
30 | PRX | 0.698795 | 0.87013 |
31 | ABM | 0.696203 | 0.893333 |
32 | 45A | 0.696203 | 0.893333 |
33 | AMP MG | 0.692308 | 0.90411 |
34 | HQG | 0.681818 | 0.958904 |
35 | A12 | 0.679012 | 0.933333 |
36 | AP2 | 0.679012 | 0.933333 |
37 | APC | 0.678571 | 0.933333 |
38 | TAT | 0.674419 | 0.933333 |
39 | T99 | 0.674419 | 0.933333 |
40 | A22 | 0.674157 | 0.958904 |
41 | SRA | 0.670886 | 0.894737 |
42 | SRP | 0.670455 | 0.883117 |
43 | 5AL | 0.666667 | 0.906667 |
44 | 8LE | 0.666667 | 0.871795 |
45 | ADP BEF | 0.662651 | 0.917808 |
46 | ADP MG | 0.662651 | 0.917808 |
47 | ADQ | 0.659341 | 0.92 |
48 | A1R | 0.659341 | 0.884615 |
49 | A3R | 0.659341 | 0.884615 |
50 | QA7 | 0.655556 | 0.871795 |
51 | JNT | 0.652174 | 0.92 |
52 | 8LH | 0.651685 | 0.883117 |
53 | 3OD | 0.648936 | 0.92 |
54 | BIS | 0.648936 | 0.909091 |
55 | 5SV | 0.648352 | 0.82716 |
56 | V2G | 0.647727 | 0.897436 |
57 | 9X8 | 0.645161 | 0.896104 |
58 | OAD | 0.645161 | 0.92 |
59 | 25L | 0.642105 | 0.958904 |
60 | AMO | 0.641304 | 0.907895 |
61 | ANP MG | 0.640449 | 0.958904 |
62 | 8LQ | 0.637363 | 0.883117 |
63 | G5P | 0.636364 | 0.897436 |
64 | DLL | 0.634409 | 0.906667 |
65 | 00A | 0.634409 | 0.860759 |
66 | AHX | 0.634409 | 0.897436 |
67 | RBY | 0.632184 | 0.907895 |
68 | ATP MG | 0.632184 | 0.917808 |
69 | APC MG | 0.632184 | 0.893333 |
70 | ADV | 0.632184 | 0.907895 |
71 | ADP PO3 | 0.632184 | 0.917808 |
72 | NB8 | 0.631579 | 0.897436 |
73 | OZV | 0.630435 | 0.945205 |
74 | 8QN | 0.630435 | 0.906667 |
75 | OOB | 0.630435 | 0.906667 |
76 | 25A | 0.630435 | 0.945205 |
77 | G3A | 0.626263 | 0.897436 |
78 | BEF ADP | 0.625 | 0.893333 |
79 | 4AD | 0.623656 | 0.896104 |
80 | PAJ | 0.623656 | 0.8625 |
81 | LAD | 0.621053 | 0.839506 |
82 | ME8 | 0.614583 | 0.819277 |
83 | 1ZZ | 0.614583 | 0.819277 |
84 | TXA | 0.614583 | 0.907895 |
85 | GTA | 0.613861 | 0.864198 |
86 | 9ZA | 0.612903 | 0.909091 |
87 | 9ZD | 0.612903 | 0.909091 |
88 | KMQ | 0.612245 | 0.907895 |
89 | 3UK | 0.610526 | 0.894737 |
90 | SON | 0.604651 | 0.907895 |
91 | ALF ADP | 0.604396 | 0.848101 |
92 | VO4 ADP | 0.604396 | 0.92 |
93 | WAQ | 0.604167 | 0.860759 |
94 | B5V | 0.604167 | 0.883117 |
95 | PR8 | 0.604167 | 0.829268 |
96 | 4UV | 0.6 | 0.871795 |
97 | GAP | 0.6 | 0.87013 |
98 | FYA | 0.597938 | 0.881579 |
99 | PTJ | 0.597938 | 0.873418 |
100 | LMS | 0.597561 | 0.829268 |
101 | UP5 | 0.596154 | 0.896104 |
102 | FA5 | 0.59596 | 0.883117 |
103 | PAP | 0.595506 | 0.958333 |
104 | A4P | 0.59434 | 0.823529 |
105 | XAH | 0.59 | 0.841463 |
106 | AFH | 0.588235 | 0.8625 |
107 | 4UU | 0.588235 | 0.871795 |
108 | 9SN | 0.585859 | 0.85 |
109 | 2A5 | 0.58427 | 0.894737 |
110 | T5A | 0.583333 | 0.821429 |
111 | DQV | 0.582524 | 0.932432 |
112 | NAI | 0.580952 | 0.884615 |
113 | B5M | 0.58 | 0.871795 |
114 | B5Y | 0.58 | 0.871795 |
115 | ITT | 0.579545 | 0.917808 |
116 | ATR | 0.577778 | 0.944444 |
117 | OMR | 0.575472 | 0.831325 |
118 | 5AS | 0.574713 | 0.781609 |
119 | YLP | 0.571429 | 0.8 |
120 | 48N | 0.571429 | 0.873418 |
121 | AP0 | 0.570093 | 0.873418 |
122 | 4TC | 0.570093 | 0.873418 |
123 | 7D3 | 0.569767 | 0.881579 |
124 | ADJ | 0.568807 | 0.831325 |
125 | DAL AMP | 0.568421 | 0.881579 |
126 | GNP | 0.568421 | 0.922078 |
127 | 9GM | 0.568421 | 0.922078 |
128 | NAX | 0.566038 | 0.851852 |
129 | DND | 0.566038 | 0.907895 |
130 | 6V0 | 0.566038 | 0.873418 |
131 | 4UW | 0.566038 | 0.839506 |
132 | TXD | 0.566038 | 0.884615 |
133 | ADN | 0.565789 | 0.821918 |
134 | XYA | 0.565789 | 0.821918 |
135 | RAB | 0.565789 | 0.821918 |
136 | AOC | 0.564706 | 0.8 |
137 | 7D4 | 0.561798 | 0.881579 |
138 | ADP BMA | 0.561224 | 0.894737 |
139 | TYM | 0.560748 | 0.883117 |
140 | TXE | 0.560748 | 0.884615 |
141 | GA7 | 0.557692 | 0.883117 |
142 | YLC | 0.555556 | 0.819277 |
143 | YLB | 0.555556 | 0.8 |
144 | L3W | 0.555556 | 0.907895 |
145 | 139 | 0.554545 | 0.851852 |
146 | 5N5 | 0.551282 | 0.797297 |
147 | JB6 | 0.55 | 0.860759 |
148 | LAQ | 0.54717 | 0.819277 |
149 | F2R | 0.544643 | 0.843373 |
150 | MYR AMP | 0.544554 | 0.797619 |
151 | A4D | 0.544304 | 0.797297 |
152 | 5CD | 0.544304 | 0.783784 |
153 | 80F | 0.54386 | 0.821429 |
154 | 7MD | 0.542857 | 0.864198 |
155 | 6AD | 0.542553 | 0.886076 |
156 | A2R | 0.541667 | 0.958904 |
157 | UPA | 0.541284 | 0.884615 |
158 | YLA | 0.540541 | 0.8 |
159 | BTX | 0.539823 | 0.821429 |
160 | COD | 0.539823 | 0.793103 |
161 | G5A | 0.537634 | 0.781609 |
162 | HFD | 0.537634 | 0.921053 |
163 | JSQ | 0.537634 | 0.921053 |
164 | CNA | 0.535714 | 0.907895 |
165 | AYB | 0.535714 | 0.790698 |
166 | 3DH | 0.535714 | 0.753247 |
167 | BT5 | 0.535088 | 0.811765 |
168 | ATP A | 0.533981 | 0.905405 |
169 | ATP A A A | 0.533981 | 0.905405 |
170 | IOT | 0.531532 | 0.811765 |
171 | MTA | 0.53012 | 0.753247 |
172 | 3AM | 0.529412 | 0.90411 |
173 | A3P | 0.52809 | 0.944444 |
174 | NAD | 0.526316 | 0.906667 |
175 | PPS | 0.526316 | 0.851852 |
176 | NO7 | 0.525773 | 0.907895 |
177 | EP4 | 0.52439 | 0.734177 |
178 | 7D5 | 0.52381 | 0.855263 |
179 | AMP DBH | 0.52381 | 0.87013 |
180 | J7C | 0.522727 | 0.75 |
181 | H1Q | 0.521739 | 0.88 |
182 | A5A | 0.520833 | 0.809524 |
183 | EAD | 0.520661 | 0.851852 |
184 | TSB | 0.520408 | 0.821429 |
185 | AHZ | 0.518519 | 0.797619 |
186 | M2T | 0.518072 | 0.716049 |
187 | DTA | 0.518072 | 0.766234 |
188 | 6RE | 0.517241 | 0.740741 |
189 | A3D | 0.517241 | 0.894737 |
190 | YLY | 0.516949 | 0.790698 |
191 | SSA | 0.515464 | 0.802326 |
192 | NA7 | 0.514852 | 0.933333 |
193 | AR6 AR6 | 0.514019 | 0.893333 |
194 | ARG AMP | 0.514019 | 0.809524 |
195 | 7MC | 0.513514 | 0.843373 |
196 | A2P | 0.511111 | 0.930556 |
197 | VMS | 0.510204 | 0.790698 |
198 | 54H | 0.510204 | 0.790698 |
199 | 52H | 0.510204 | 0.781609 |
200 | TAD | 0.509259 | 0.8625 |
201 | NAQ | 0.508333 | 0.85 |
202 | A3N | 0.505618 | 0.766234 |
203 | CUU | 0.505376 | 0.945205 |
204 | AV2 | 0.505155 | 0.893333 |
205 | 53H | 0.50505 | 0.781609 |
206 | 5CA | 0.50505 | 0.802326 |
207 | 8X1 | 0.50505 | 0.755556 |
208 | ARU | 0.504951 | 0.839506 |
209 | ZID | 0.504132 | 0.894737 |
210 | P1H | 0.504 | 0.831325 |
211 | AVV | 0.5 | 0.873418 |
212 | 6MZ | 0.5 | 0.905405 |
213 | NAE | 0.5 | 0.871795 |
214 | 3AT | 0.5 | 0.945205 |
215 | P5A | 0.495146 | 0.747253 |
216 | NSS | 0.49505 | 0.802326 |
217 | LSS | 0.49505 | 0.764045 |
218 | DSZ | 0.49505 | 0.802326 |
219 | N0B | 0.491803 | 0.8 |
220 | 38V | 0.491803 | 0.864198 |
221 | ALF ADP 3PG | 0.491071 | 0.817073 |
222 | AF3 ADP 3PG | 0.491071 | 0.817073 |
223 | NVA LMS | 0.490196 | 0.755556 |
224 | O02 | 0.489583 | 0.922078 |
225 | DAT | 0.489362 | 0.881579 |
226 | IMO | 0.488889 | 0.90411 |
227 | ZAS | 0.488636 | 0.792208 |
228 | FDA | 0.488372 | 0.813953 |
229 | NWW | 0.487805 | 0.739726 |
230 | D4F | 0.487603 | 0.819277 |
231 | NAJ PZO | 0.487395 | 0.85 |
232 | 4TA | 0.487179 | 0.788235 |
233 | NAD TDB | 0.486726 | 0.893333 |
234 | NAD IBO | 0.486726 | 0.893333 |
235 | LPA AMP | 0.486486 | 0.797619 |
236 | DTP | 0.484536 | 0.881579 |
237 | V3L | 0.484536 | 0.945205 |
238 | GJV | 0.483516 | 0.731707 |
239 | S4M | 0.483516 | 0.651685 |
240 | DZD | 0.483051 | 0.8625 |
241 | 2AM | 0.482759 | 0.917808 |
242 | 5AD | 0.481013 | 0.726027 |
243 | KAA | 0.480769 | 0.755556 |
244 | GSU | 0.480769 | 0.781609 |
245 | NDE | 0.480315 | 0.907895 |
246 | M24 | 0.479339 | 0.851852 |
247 | MAO | 0.478261 | 0.761905 |
248 | DSH | 0.477778 | 0.707317 |
249 | NEC | 0.477778 | 0.727273 |
250 | FAD | 0.477273 | 0.831325 |
251 | FAS | 0.477273 | 0.831325 |
252 | RGT | 0.476636 | 0.933333 |
253 | 9K8 | 0.47619 | 0.698925 |
254 | 0WD | 0.474576 | 0.897436 |
255 | FNK | 0.474074 | 0.786517 |
256 | 5X8 | 0.473684 | 0.74359 |
257 | 6FA | 0.473282 | 0.821429 |
258 | NDC | 0.472868 | 0.85 |
259 | FB0 | 0.472868 | 0.786517 |
260 | YSA | 0.472222 | 0.781609 |
261 | LEU LMS | 0.471154 | 0.733333 |
262 | 7DD | 0.468085 | 0.958333 |
263 | OVE | 0.466667 | 0.881579 |
264 | NWQ | 0.465909 | 0.72 |
265 | DZ4 | 0.464646 | 0.907895 |
266 | MHZ | 0.463158 | 0.701149 |
267 | 8PZ | 0.462963 | 0.802326 |
268 | AMP NAD | 0.462185 | 0.881579 |
269 | A3G | 0.461538 | 0.779221 |
270 | N5O | 0.461538 | 0.74359 |
271 | NAJ PYZ | 0.459677 | 0.809524 |
272 | 6C6 | 0.459184 | 0.858974 |
273 | B1U | 0.458716 | 0.758242 |
274 | LQJ | 0.458716 | 0.893333 |
275 | SFG | 0.458333 | 0.730769 |
276 | 7D7 | 0.45679 | 0.723684 |
277 | 128 | 0.45614 | 0.8 |
278 | SFD | 0.455224 | 0.736842 |
279 | DDS | 0.454545 | 0.855263 |
280 | GDP | 0.454545 | 0.896104 |
281 | 6IA | 0.454545 | 0.817073 |
282 | NJP | 0.453782 | 0.921053 |
283 | ODP | 0.453782 | 0.886076 |
284 | 7DT | 0.453608 | 0.958333 |
285 | J4G | 0.45283 | 0.896104 |
286 | A7D | 0.452632 | 0.75641 |
287 | Z5A | 0.452381 | 0.802326 |
288 | WSA | 0.452174 | 0.790698 |
289 | N5A | 0.451613 | 0.717949 |
290 | 7C5 | 0.45045 | 0.797468 |
291 | K3K | 0.449541 | 0.782051 |
292 | FAY | 0.449275 | 0.841463 |
293 | NDP | 0.449153 | 0.897436 |
294 | SA8 | 0.44898 | 0.690476 |
295 | A5D | 0.44898 | 0.766234 |
296 | 71V | 0.446809 | 0.884615 |
297 | GGZ | 0.446602 | 0.804878 |
298 | RFL | 0.446043 | 0.802326 |
299 | 2SA | 0.445545 | 0.907895 |
300 | SAH | 0.444444 | 0.725 |
301 | SAI | 0.444444 | 0.716049 |
302 | GP3 | 0.444444 | 0.897436 |
303 | PO4 PO4 A A A A PO4 | 0.443396 | 0.878378 |
304 | QXG | 0.443396 | 0.77907 |
305 | 4YB | 0.442478 | 0.764045 |
306 | QXP | 0.442308 | 0.788235 |
307 | K3E | 0.441441 | 0.772152 |
308 | S7M | 0.441176 | 0.674419 |
309 | SMM | 0.441176 | 0.670455 |
310 | GTP | 0.441176 | 0.896104 |
311 | V47 | 0.441176 | 0.763158 |
312 | Y3J | 0.440476 | 0.706667 |
313 | SAM | 0.44 | 0.674419 |
314 | 649 | 0.439655 | 0.747253 |
315 | 12D | 0.438596 | 0.809524 |
316 | A3S | 0.4375 | 0.789474 |
317 | NPW | 0.436975 | 0.864198 |
318 | GCP | 0.436893 | 0.873418 |
319 | EEM | 0.435644 | 0.674419 |
320 | AAT | 0.435644 | 0.690476 |
321 | GNH | 0.435644 | 0.909091 |
322 | ETB | 0.435484 | 0.813953 |
323 | DCA | 0.435484 | 0.804598 |
324 | KOY | 0.434783 | 0.782051 |
325 | N6P | 0.433962 | 0.890411 |
326 | NZQ | 0.433333 | 0.886076 |
327 | TXP | 0.433333 | 0.897436 |
328 | PGS | 0.43299 | 0.860759 |
329 | APU | 0.432203 | 0.871795 |
330 | PUA | 0.432 | 0.8625 |
331 | 62F | 0.431655 | 0.841463 |
332 | F2N | 0.431507 | 0.795455 |
333 | DA | 0.430108 | 0.855263 |
334 | D5M | 0.430108 | 0.855263 |
335 | J7V | 0.429688 | 0.813953 |
336 | 0T1 | 0.428571 | 0.804598 |
337 | A3T | 0.428571 | 0.8 |
338 | COA | 0.428571 | 0.804598 |
339 | NIA | 0.428571 | 0.848101 |
340 | 6K6 | 0.428571 | 0.905405 |
341 | P5F | 0.427586 | 0.804598 |
342 | R2V | 0.425926 | 0.788235 |
343 | CZF | 0.425743 | 0.906667 |
344 | NX8 | 0.425743 | 0.698795 |
345 | AAM | 0.425532 | 0.944444 |
346 | KYB | 0.424528 | 0.714286 |
347 | 0UM | 0.424528 | 0.682353 |
348 | 8Q2 | 0.423729 | 0.775281 |
349 | G1R | 0.423077 | 0.884615 |
350 | AMZ | 0.422222 | 0.891892 |
351 | C2R | 0.422222 | 0.88 |
352 | QBQ | 0.421569 | 0.883117 |
353 | IDP | 0.42 | 0.894737 |
354 | K2W | 0.419643 | 0.722892 |
355 | KY2 | 0.419048 | 0.714286 |
356 | GSP | 0.419048 | 0.851852 |
357 | 1DG | 0.418605 | 0.897436 |
358 | COS | 0.418605 | 0.786517 |
359 | CAO | 0.418605 | 0.777778 |
360 | DG1 | 0.418605 | 0.897436 |
361 | 30N | 0.418605 | 0.736842 |
362 | AMX | 0.418605 | 0.813953 |
363 | KY5 | 0.418182 | 0.707317 |
364 | TM1 | 0.418182 | 0.797619 |
365 | 9BG | 0.418033 | 0.873418 |
366 | A6D | 0.416667 | 0.746988 |
367 | K15 | 0.416667 | 0.666667 |
368 | V1N | 0.415929 | 0.893333 |
369 | SCO | 0.415385 | 0.804598 |
370 | CMX | 0.415385 | 0.804598 |
371 | GEK | 0.415094 | 0.719512 |
372 | NHD | 0.414634 | 0.881579 |
373 | XNP | 0.414634 | 0.851852 |
374 | K38 | 0.414414 | 0.759494 |
375 | 9JJ | 0.413793 | 0.841463 |
376 | AIR | 0.413793 | 0.876712 |
377 | COK | 0.413534 | 0.786517 |
378 | K2K | 0.412844 | 0.719512 |
379 | G2R | 0.412844 | 0.8625 |
380 | KY8 | 0.412844 | 0.710843 |
381 | FAM | 0.412214 | 0.786517 |
382 | FCX | 0.412214 | 0.777778 |
383 | ACO | 0.412214 | 0.777778 |
384 | KL2 | 0.411111 | 0.815789 |
385 | NAP | 0.410853 | 0.92 |
386 | NWZ | 0.41 | 0.686747 |
387 | CNV FAD | 0.409722 | 0.775281 |
388 | FA9 | 0.409396 | 0.843373 |
389 | SXZ | 0.409091 | 0.694118 |
390 | K2R | 0.409091 | 0.857143 |
391 | O05 | 0.409091 | 0.823529 |
392 | HAX | 0.409091 | 0.806818 |
393 | TAP | 0.407692 | 0.884615 |
394 | 62X | 0.407407 | 0.651685 |
395 | 2MC | 0.407407 | 0.752688 |
396 | K2H | 0.407407 | 0.7375 |
397 | GKE | 0.40708 | 0.8625 |
398 | GDD | 0.40708 | 0.8625 |
399 | GDC | 0.40708 | 0.8625 |
400 | KYE | 0.40708 | 0.697674 |
401 | FYN | 0.406015 | 0.804598 |
402 | 3KK | 0.406015 | 0.786517 |
403 | NVA 2AD | 0.405941 | 0.740741 |
404 | KXW | 0.405172 | 0.690476 |
405 | PLP AAD | 0.404762 | 0.736264 |
406 | NA0 | 0.40458 | 0.907895 |
407 | 101 | 0.404255 | 0.855263 |
408 | G | 0.40404 | 0.883117 |
409 | 5GP | 0.40404 | 0.883117 |
410 | FAJ | 0.403974 | 0.811765 |
411 | HDV | 0.403846 | 0.87013 |
412 | MGP | 0.403846 | 0.8625 |
413 | MCD | 0.402985 | 0.786517 |
414 | OXK | 0.402985 | 0.786517 |
415 | YZS | 0.402985 | 0.714286 |
416 | KGP | 0.402985 | 0.714286 |
417 | SOP | 0.402985 | 0.786517 |
418 | CA6 | 0.402985 | 0.714286 |
419 | 3AD | 0.402299 | 0.783784 |
420 | S8M | 0.401869 | 0.78481 |
421 | YE1 | 0.40146 | 0.795455 |
422 | 2VA | 0.4 | 0.779221 |
423 | 6G0 | 0.4 | 0.8625 |
424 | NMX | 0.4 | 0.782609 |
425 | CO6 | 0.4 | 0.786517 |
426 | 1VU | 0.4 | 0.777778 |
427 | GMV | 0.4 | 0.873418 |
428 | 7RP | 0.4 | 0.902778 |
429 | CMC | 0.4 | 0.786517 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP AF3 | 0.9867 |
2 | ADP VO4 | 0.9840 |
3 | ADP ALF | 0.9835 |
4 | BEF GDP | 0.9733 |
5 | GDP BEF | 0.9732 |
6 | ALF GDP | 0.9572 |
7 | DBG | 0.9557 |
8 | GDP ALF | 0.9557 |
9 | GDP AF3 | 0.9523 |
10 | UTP | 0.9434 |
11 | DGT | 0.9413 |
12 | CTP | 0.9332 |
13 | UNP | 0.9314 |
14 | GDP MG | 0.9298 |
15 | 8DG | 0.9119 |
16 | MGT | 0.9080 |
17 | TTP | 0.9060 |
18 | DUP | 0.9039 |
19 | GH3 | 0.8961 |
20 | Y9Z | 0.8940 |
21 | MGO | 0.8925 |
22 | 2TM | 0.8903 |
23 | 2KH | 0.8853 |
24 | DUT | 0.8825 |
25 | DUT MG | 0.8783 |
26 | M7G | 0.8756 |
27 | GTP MG | 0.8746 |
28 | DCP | 0.8734 |
29 | DGI | 0.8732 |
30 | ALF 5GP | 0.8646 |
31 | RSN | 0.8624 |
32 | DCT | 0.8623 |
33 | G2P | 0.8610 |
This union binding pocket(no: 1) in the query (biounit: 4nw6.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JKM | ADP | 25.387 |
2 | 2QLU | ADE | 30.8917 |
3 | 3UIM | ANP | 32.1981 |
4 | 5LPZ | ADP | 32.8173 |
5 | 1Q8Y | ADE | 33.1269 |
6 | 1Q8Y | ADP | 33.1269 |
7 | 3LXN | MI1 | 33.3333 |
8 | 4OH4 | ANP | 33.3333 |
9 | 6K3L | 3NG | 34.0237 |
10 | 4UX9 | ANP | 34.9845 |
11 | 4UX9 | ANP | 34.9845 |
12 | 4UX9 | ANP | 34.9845 |
13 | 6K0J | CQO | 34.9845 |
14 | 2H8H | H8H | 35.9133 |
15 | 6G33 | 5ID | 35.9133 |
16 | 6G33 | 5ID | 35.9133 |
17 | 6JQR | C6F | 35.9133 |
18 | 4IDT | T28 | 36.8421 |
19 | 4IDT | T28 | 36.8421 |
20 | 3PTG | 932 | 36.8421 |
21 | 5Y86 | HRM | 37.1517 |
22 | 5AWM | ANP | 38.0805 |
23 | 4CFU | 2WC | 38.6139 |
24 | 4CFU | 2WC | 38.6139 |
25 | 6GUE | FB8 | 38.7417 |
26 | 6GUE | FB8 | 38.7417 |
27 | 6GU6 | 1QK | 38.7417 |
28 | 5HQ0 | LZ9 | 38.7417 |
29 | 4BCQ | TJF | 38.8704 |
30 | 4BCQ | TJF | 38.8704 |
31 | 6YLC | OXW | 38.8715 |
32 | 6YLC | OXW | 38.8715 |
33 | 4BCN | T9N | 39 |
34 | 4BCN | T9N | 39 |
35 | 5LMK | 6ZK | 39.3939 |
36 | 4BHN | BH9 | 39.9381 |
37 | 4BHN | BH9 | 39.9381 |
38 | 2V7O | DRN | 42.1053 |
39 | 3GQI | ACP | 42.1053 |
40 | 2PVF | ACP | 43.0341 |
41 | 6CMJ | F6J | 43.3022 |
42 | 6CMJ | F6J | 43.3022 |
43 | 2A19 | ANP | 43.3099 |
44 | 2VZ6 | FEF | 43.4505 |
45 | 2VZ6 | FEF | 43.4505 |
46 | 2B9J | ADP | 43.9628 |
47 | 2VN9 | GVD | 44.5183 |
48 | 2VN9 | GVD | 44.5183 |
49 | 1BYG | STU | 44.964 |
50 | 3HZT | J60 | 45.2012 |
51 | 1PHK | ATP | 45.6376 |
52 | 1U59 | STU | 45.6446 |
53 | 2ZV2 | 609 | 45.9732 |
54 | 4AU8 | Z3R | 47.6351 |
55 | 4AU8 | Z3R | 47.6351 |
56 | 4AU8 | Z3R | 47.6351 |
57 | 4AU8 | Z3R | 47.6351 |
58 | 1UNH | IXM | 48.2877 |
59 | 1UNH | IXM | 48.2877 |
60 | 3O0G | 3O0 | 48.2877 |
61 | 3SRV | S19 | 48.7365 |
62 | 3SRV | S19 | 48.7365 |