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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 10 families. | |||||
1 | 5DDZ | - | ASP ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
2 | 4MX5 | ic50 = 28 uM | 5MX | C17 H17 N7 O4 | c1ccc(cc1).... |
3 | 4HV7 | ic50 = 300 uM | 19J | C11 H11 N7 O5 | c1c(nc2c(n.... |
4 | 3PX8 | ic50 = 230 uM | JP2 | C7 H5 N5 O3 | c1c(nc2c(n.... |
5 | 5GU4 | Kd = 3.4 uM | ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
6 | 1BR6 | Ki = 0.6 mM | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
7 | 4ESI | ic50 = 70 uM | 0RB | C10 H9 N9 O2 | c1c([nH]nn.... |
8 | 4HV3 | ic50 = 115 uM | 19L | C21 H20 N8 O6 | c1ccc2c(c1.... |
9 | 1BR5 | Ki > 2 mM | NEO | C9 H11 N5 O4 | c1c(nc2c(n.... |
10 | 3EJ5 | ic50 = 0.27 mM | EJ5 | C14 H15 N3 O4 | c1cc(ccc1C.... |
11 | 4MX1 | ic50 = 209 uM | 1MX | C16 H16 N8 O3 | c1ccc(cc1).... |
12 | 3PX9 | ic50 = 380 uM | JP3 | C12 H10 N6 O3 | c1cc(oc1)C.... |
13 | 4HUO | ic50 = 20 uM | RS8 | C18 H17 N7 O5 | c1ccc(cc1).... |
14 | 2P8N | Kd = 0.7 mM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
15 | 1J1M | - | GLC GLC | n/a | n/a |
16 | 4Q2V | - | 0XE | C21 H18 O11 | c1ccc(cc1).... |
17 | 6URY | ic50 = 400 uM | R6T | C14 H9 N O2 | c1ccc2c(c1.... |
18 | 4HUP | ic50 = 15 uM | 19M | C27 H26 N8 O6 | c1ccc(cc1).... |
19 | 1IFS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
20 | 1IFU | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
21 | 3HIO | - | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
22 | 6URX | ic50 = 181 uM | JMG | C11 H8 O2 S | c1ccc(cc1).... |
23 | 2PJO | Kd = 900 mM | NMU | C2 H6 N2 O | CNC(=O)N |
24 | 2R3D | Kd = 1.4 M | ACM | C2 H5 N O | CC(=O)N |
25 | 6URW | ic50 = 32 uM | R7T | C12 H10 O2 S | c1cc(sc1)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 5DDZ | - | ASP ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
2 | 4MX5 | ic50 = 28 uM | 5MX | C17 H17 N7 O4 | c1ccc(cc1).... |
3 | 4HV7 | ic50 = 300 uM | 19J | C11 H11 N7 O5 | c1c(nc2c(n.... |
4 | 3PX8 | ic50 = 230 uM | JP2 | C7 H5 N5 O3 | c1c(nc2c(n.... |
5 | 5GU4 | Kd = 3.4 uM | ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
6 | 1BR6 | Ki = 0.6 mM | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
7 | 4ESI | ic50 = 70 uM | 0RB | C10 H9 N9 O2 | c1c([nH]nn.... |
8 | 4HV3 | ic50 = 115 uM | 19L | C21 H20 N8 O6 | c1ccc2c(c1.... |
9 | 1BR5 | Ki > 2 mM | NEO | C9 H11 N5 O4 | c1c(nc2c(n.... |
10 | 3EJ5 | ic50 = 0.27 mM | EJ5 | C14 H15 N3 O4 | c1cc(ccc1C.... |
11 | 4MX1 | ic50 = 209 uM | 1MX | C16 H16 N8 O3 | c1ccc(cc1).... |
12 | 3PX9 | ic50 = 380 uM | JP3 | C12 H10 N6 O3 | c1cc(oc1)C.... |
13 | 4HUO | ic50 = 20 uM | RS8 | C18 H17 N7 O5 | c1ccc(cc1).... |
14 | 2P8N | Kd = 0.7 mM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
15 | 1J1M | - | GLC GLC | n/a | n/a |
16 | 4Q2V | - | 0XE | C21 H18 O11 | c1ccc(cc1).... |
17 | 6URY | ic50 = 400 uM | R6T | C14 H9 N O2 | c1ccc2c(c1.... |
18 | 4HUP | ic50 = 15 uM | 19M | C27 H26 N8 O6 | c1ccc(cc1).... |
19 | 1IFS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
20 | 1IFU | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
21 | 3HIO | - | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
22 | 6URX | ic50 = 181 uM | JMG | C11 H8 O2 S | c1ccc(cc1).... |
23 | 2PJO | Kd = 900 mM | NMU | C2 H6 N2 O | CNC(=O)N |
24 | 2R3D | Kd = 1.4 M | ACM | C2 H5 N O | CC(=O)N |
25 | 6URW | ic50 = 32 uM | R7T | C12 H10 O2 S | c1cc(sc1)C.... |
26 | 6LOZ | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
27 | 6LP0 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
28 | 6LOY | - | D5M | C10 H14 N5 O6 P | c1nc(c2c(n.... |
29 | 1MRH | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
30 | 6LOQ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
31 | 6LOV | - | 4UO | C10 H12 N4 O6 | c1nc2c(n1[.... |
32 | 1MRG | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
33 | 6LOR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
34 | 3KU0 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
35 | 2QET | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
36 | 1LPC | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
37 | 1GIU | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 1MRK | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
39 | 1QD2 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
40 | 1TCS | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
41 | 1MRJ | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
42 | 1NLI | Kd = 260 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
43 | 1GIS | - | DA | C10 H14 N5 O6 P | c1nc(c2c(n.... |
44 | 1AHB | - | FMP | C10 H14 N5 O7 P | c1nc2c(c(n.... |
45 | 1AHA | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
46 | 3N1N | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
47 | 3V2K | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
48 | 3RL9 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
49 | 3SJ6 | - | RIP | C5 H10 O5 | C1[C@H]([C.... |
50 | 3U6Z | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
51 | 1J1S | - | FMP | C10 H14 N5 O7 P | c1nc2c(c(n.... |
52 | 1D6A | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
53 | 1QCJ | - | APT | C14 H13 N6 O3 | c1cc(ccc1C.... |
54 | 1QCI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
55 | 3LE7 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
56 | 5Z3J | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
57 | 5Z3I | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
58 | 3HIW | Ki = 3.9 nM | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
59 | 3HIV | Ki = 7.5 nM | TXN | C37 H52 N15 O20 P3 | CO[C@@H]1[.... |
60 | 3HIT | Ki = 6.4 nM | DYN | C30 H47 N10 O17 P3 | CO[C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | R6T | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 64C | 0.9480 |
2 | 64E | 0.9321 |
3 | 6BL | 0.9285 |
4 | 537 | 0.9236 |
5 | 3N4 | 0.9173 |
6 | 4KL | 0.9161 |
7 | X8D | 0.9135 |
8 | EYA | 0.9124 |
9 | 4AN | 0.9107 |
10 | ZYR | 0.9091 |
11 | MT8 | 0.9086 |
12 | I6G | 0.9071 |
13 | Q77 | 0.9061 |
14 | 5VJ | 0.9032 |
15 | QNA | 0.9023 |
16 | TOF | 0.9012 |
17 | 3J8 | 0.9011 |
18 | 8VE | 0.9009 |
19 | JAK | 0.9000 |
20 | MYI | 0.8985 |
21 | 582 | 0.8978 |
22 | 8MO | 0.8975 |
23 | DPZ | 0.8967 |
24 | 8HC | 0.8956 |
25 | FDR | 0.8954 |
26 | MOK | 0.8950 |
27 | BEA | 0.8950 |
28 | CB1 | 0.8950 |
29 | TIY | 0.8948 |
30 | 7B3 | 0.8946 |
31 | 0FK | 0.8925 |
32 | 64F | 0.8921 |
33 | CLZ | 0.8919 |
34 | 1YE | 0.8918 |
35 | 8XQ | 0.8912 |
36 | 5NE | 0.8903 |
37 | XM5 | 0.8896 |
38 | B56 | 0.8888 |
39 | GHM | 0.8883 |
40 | M5N | 0.8880 |
41 | AO6 | 0.8875 |
42 | 18N | 0.8873 |
43 | EJZ | 0.8869 |
44 | 4VS | 0.8866 |
45 | Q7A | 0.8861 |
46 | PH2 | 0.8853 |
47 | N0Z | 0.8842 |
48 | NTZ | 0.8840 |
49 | MNX | 0.8836 |
50 | TQU | 0.8829 |
51 | FLV | 0.8829 |
52 | 28N | 0.8829 |
53 | UFO | 0.8826 |
54 | DNA | 0.8825 |
55 | CFF | 0.8824 |
56 | LDR | 0.8818 |
57 | 96U | 0.8817 |
58 | MAQ | 0.8815 |
59 | 209 | 0.8813 |
60 | MXX | 0.8811 |
61 | JR2 | 0.8811 |
62 | HHS | 0.8808 |
63 | G1P | 0.8797 |
64 | 20J | 0.8797 |
65 | 2K8 | 0.8796 |
66 | Q71 | 0.8795 |
67 | 7I2 | 0.8795 |
68 | 9AP | 0.8793 |
69 | N8Y | 0.8789 |
70 | 226 | 0.8788 |
71 | 4NO | 0.8784 |
72 | 2SX | 0.8776 |
73 | HHR | 0.8776 |
74 | 67X | 0.8775 |
75 | FBG | 0.8774 |
76 | MHK | 0.8757 |
77 | ESI | 0.8755 |
78 | G12 | 0.8751 |
79 | 344 | 0.8749 |
80 | 0Q2 | 0.8746 |
81 | PX7 | 0.8740 |
82 | DNC | 0.8734 |
83 | 0XT | 0.8733 |
84 | PEY | 0.8730 |
85 | Z73 | 0.8728 |
86 | XHP | 0.8725 |
87 | 2D3 | 0.8724 |
88 | HKD | 0.8723 |
89 | ACE TRP | 0.8723 |
90 | A0O | 0.8719 |
91 | 8GK | 0.8718 |
92 | HNQ | 0.8712 |
93 | 774 | 0.8706 |
94 | QQQ | 0.8703 |
95 | V1T | 0.8698 |
96 | NDM | 0.8696 |
97 | 6ME | 0.8696 |
98 | B62 | 0.8696 |
99 | WUB | 0.8695 |
100 | GNV | 0.8695 |
101 | IBM | 0.8694 |
102 | H5B | 0.8693 |
103 | 1KP | 0.8690 |
104 | LZ2 | 0.8690 |
105 | 5NS | 0.8689 |
106 | ANC | 0.8689 |
107 | 6QF | 0.8688 |
108 | BRV | 0.8687 |
109 | 1QP | 0.8684 |
110 | X11 | 0.8681 |
111 | XQK | 0.8680 |
112 | JY4 | 0.8678 |
113 | JG8 | 0.8677 |
114 | MVL | 0.8677 |
115 | VK3 | 0.8676 |
116 | DPT | 0.8673 |
117 | JTA | 0.8661 |
118 | KFH | 0.8658 |
119 | OTW | 0.8657 |
120 | B5D | 0.8657 |
121 | 44V | 0.8653 |
122 | HTP | 0.8653 |
123 | H33 | 0.8653 |
124 | 372 | 0.8652 |
125 | FXH | 0.8651 |
126 | NVU | 0.8644 |
127 | I3C | 0.8642 |
128 | AA | 0.8641 |
129 | MVN | 0.8639 |
130 | DQU | 0.8639 |
131 | 0N7 | 0.8636 |
132 | C2Y | 0.8635 |
133 | 4RU | 0.8632 |
134 | SXS | 0.8631 |
135 | AY4 | 0.8630 |
136 | 2LY | 0.8630 |
137 | 0P6 | 0.8630 |
138 | GI3 | 0.8627 |
139 | GNJ | 0.8624 |
140 | HNA | 0.8622 |
141 | B60 | 0.8618 |
142 | 3TJ | 0.8614 |
143 | 1HN | 0.8611 |
144 | 1X7 | 0.8610 |
145 | 0FO | 0.8609 |
146 | SBI | 0.8606 |
147 | KTW | 0.8606 |
148 | 5WY | 0.8605 |
149 | E1K | 0.8603 |
150 | TNF | 0.8603 |
151 | DX3 | 0.8602 |
152 | 8W9 | 0.8601 |
153 | 2ZQ | 0.8599 |
154 | KGK | 0.8599 |
155 | THM | 0.8597 |
156 | E7R | 0.8596 |
157 | F95 | 0.8594 |
158 | 4V6 | 0.8589 |
159 | I7B | 0.8585 |
160 | DX1 | 0.8584 |
161 | 5M8 | 0.8582 |
162 | 44W | 0.8581 |
163 | 7ZE | 0.8576 |
164 | THA | 0.8571 |
165 | T28 | 0.8569 |
166 | 7ZC | 0.8567 |
167 | H05 | 0.8565 |
168 | 7CT | 0.8565 |
169 | CWS | 0.8564 |
170 | KUF | 0.8563 |
171 | KIF | 0.8560 |
172 | HQD | 0.8558 |
173 | GIM | 0.8535 |
174 | Z5P | 0.8533 |
175 | 27B | 0.8519 |
176 | 9FE | 0.8518 |