- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 214 families. | |||||
1 | 2WNC | Kd = 479 nM | TKT | C17 H20 N2 O2 | CN1[C@H]2C.... |
2 | 2XYT | Ki = 509.2 nM | TC9 | C37 H42 N2 O6 | C[N@H+]1CC.... |
3 | 2YMD | Kd = 693 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
4 | 4DBM | Kd = 24 nM | 0J0 | C22 H28 N5 O2 | CN1c2ccccc.... |
5 | 3C79 | Kd = 63 nM | IM4 | C9 H10 Cl N5 O2 | c1cc(ncc1C.... |
6 | 2BYR | Kd = 2.8 nM | MLK | C37 H50 N2 O10 | CC[N@]1C[C.... |
7 | 4XHE | - | 40P | C41 H61 N O9 | C[C@H]1C[C.... |
8 | 2WNJ | Kd = 330 nM | ZY7 | C19 H20 N2 O2 | COc1ccc(c(.... |
9 | 2BYS | Kd = 0.3 nM | LOB | C22 H27 N O2 | C[N@@]1[C@.... |
10 | 2PGZ | Kd = 1.8 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
11 | 2XNV | Ki = 5 uM | VU3 | C21 H24 N2 | c1ccc(cc1).... |
12 | 5AIN | - | QMR | C13 H13 N3 | c1cnc2cc3c.... |
13 | 2WN9 | Kd = 3 nM | ZY5 | C18 H18 N2 O2 | COc1cc(ccc.... |
14 | 3C84 | Kd = 14 nM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
15 | 2XYS | Ki = 38 nM | SY9 | C21 H22 N2 O2 | c1ccc2c(c1.... |
16 | 4BFQ | - | 083 | C21 H18 N6 | Cc1cc(nc(n.... |
17 | 4XK9 | - | 41J | C42 H63 N O7 | C[C@H]1C[C.... |
18 | 2YME | Kd = 343 uM | CWB | C18 H24 N4 O | Cn1c2ccccc.... |
19 | 5LXB | - | 7A9 | C19 H24 N2 O | c1cc2c3c(c.... |
20 | 4ZJS | - | 4P0 | C10 H15 N O | CC(=O)C1=C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 2WNC | Kd = 479 nM | TKT | C17 H20 N2 O2 | CN1[C@H]2C.... |
2 | 4DBM | Kd = 24 nM | 0J0 | C22 H28 N5 O2 | CN1c2ccccc.... |
3 | 3C79 | Kd = 63 nM | IM4 | C9 H10 Cl N5 O2 | c1cc(ncc1C.... |
4 | 2BYR | Kd = 2.8 nM | MLK | C37 H50 N2 O10 | CC[N@]1C[C.... |
5 | 4XHE | - | 40P | C41 H61 N O9 | C[C@H]1C[C.... |
6 | 2WNJ | Kd = 330 nM | ZY7 | C19 H20 N2 O2 | COc1ccc(c(.... |
7 | 2BYS | Kd = 0.3 nM | LOB | C22 H27 N O2 | C[N@@]1[C@.... |
8 | 2PGZ | Kd = 1.8 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
9 | 2XNV | Ki = 5 uM | VU3 | C21 H24 N2 | c1ccc(cc1).... |
10 | 5AIN | - | QMR | C13 H13 N3 | c1cnc2cc3c.... |
11 | 2WN9 | Kd = 3 nM | ZY5 | C18 H18 N2 O2 | COc1cc(ccc.... |
12 | 3C84 | Kd = 14 nM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
13 | 2XYS | Ki = 38 nM | SY9 | C21 H22 N2 O2 | c1ccc2c(c1.... |
14 | 4BFQ | - | 083 | C21 H18 N6 | Cc1cc(nc(n.... |
15 | 4XK9 | - | 41J | C42 H63 N O7 | C[C@H]1C[C.... |
16 | 2YME | Kd = 343 uM | CWB | C18 H24 N4 O | Cn1c2ccccc.... |
17 | 3ZDG | Ki = 0.079 uM | XRX | C9 H20 N2 O2 | C[C@H](CCO.... |
18 | 5J5I | Kd = 0.13 uM | 6GM | C22 H20 N6 O | c1ccnc(c1).... |
19 | 5J5F | Kd = 0.33 uM | 6GH | C20 H18 N6 S | c1ccnc(c1).... |
20 | 3ZDH | Ki = 0.045 uM | XRS | C10 H19 N3 O | C[C@H](CCO.... |
21 | 3WTL | Kd = 0.092 uM | N1Y | C10 H11 Cl N4 O2 | c1cc(ncc1C.... |
22 | 3WTO | Kd = 0.119 uM | N2Y | C9 H11 Cl N4 | [H]/N=C1/N.... |
23 | 3WTJ | Kd = 0.297 uM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
24 | 5AFJ | ic50 = 42 uM | 42R | C13 H14 Br N O2 | C[C@@]1(CN.... |
25 | 5AFL | ic50 = 398 uM | FHV | C12 H16 N2 O | Cc1cccc(c1.... |
26 | 5LXB | - | 7A9 | C19 H24 N2 O | c1cc2c3c(c.... |
27 | 4ZJS | - | 4P0 | C10 H15 N O | CC(=O)C1=C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | QTS | 0.9568 |
2 | QTV | 0.9514 |
3 | VJJ | 0.9487 |
4 | F0C | 0.9443 |
5 | 3AK | 0.9404 |
6 | AX8 | 0.9398 |
7 | 7VY | 0.9367 |
8 | IWH | 0.9357 |
9 | 531 | 0.9335 |
10 | RK4 | 0.9319 |
11 | S0I | 0.9313 |
12 | 536 | 0.9302 |
13 | FNA | 0.9272 |
14 | EXG | 0.9265 |
15 | 0OO | 0.9235 |
16 | QC1 | 0.9222 |
17 | AEY | 0.9220 |
18 | HHV | 0.9174 |
19 | 12R | 0.9164 |
20 | 6XC | 0.9162 |
21 | 3WK | 0.9152 |
22 | HVE | 0.9125 |
23 | BC3 | 0.9119 |
24 | 9E3 | 0.9115 |
25 | C6Z | 0.9114 |
26 | CTN | 0.9105 |
27 | C4F | 0.9104 |
28 | ON1 | 0.9100 |
29 | HO6 | 0.9095 |
30 | PW1 | 0.9094 |
31 | 0QV | 0.9091 |
32 | 3B4 | 0.9090 |
33 | DCN | 0.9081 |
34 | B5A | 0.9079 |
35 | AX4 | 0.9064 |
36 | 1U7 | 0.9059 |
37 | FVY | 0.9059 |
38 | URI | 0.9052 |
39 | A4V | 0.9047 |
40 | QUB | 0.9031 |
41 | 9F5 | 0.9029 |
42 | JD7 | 0.9024 |
43 | H35 | 0.9019 |
44 | ZKW | 0.9011 |
45 | 0QX | 0.9010 |
46 | 2LX | 0.9004 |
47 | GNW | 0.9000 |
48 | FUZ | 0.8998 |
49 | MH5 | 0.8980 |
50 | TQ4 | 0.8973 |
51 | M01 | 0.8972 |
52 | ZEA | 0.8968 |
53 | LLG | 0.8962 |
54 | 3IL | 0.8959 |
55 | PIR | 0.8955 |
56 | CMU | 0.8952 |
57 | B4L | 0.8950 |
58 | 4VT | 0.8947 |
59 | 1Q4 | 0.8946 |
60 | MQ1 | 0.8944 |
61 | 4WF | 0.8943 |
62 | TRP | 0.8942 |
63 | 3WO | 0.8941 |
64 | 3WN | 0.8941 |
65 | TCL | 0.8931 |
66 | 0OP | 0.8923 |
67 | 7WD | 0.8921 |
68 | M77 | 0.8921 |
69 | A6H | 0.8915 |
70 | 9X3 | 0.8911 |
71 | NIY | 0.8907 |
72 | 50Q | 0.8893 |
73 | 1TD | 0.8891 |
74 | ADN | 0.8891 |
75 | P1Y | 0.8888 |
76 | 4P8 | 0.8876 |
77 | TAL | 0.8873 |
78 | FPL | 0.8867 |
79 | MJ5 | 0.8862 |
80 | I0D | 0.8858 |
81 | IQP | 0.8857 |
82 | 96Z | 0.8856 |
83 | F63 | 0.8854 |
84 | TQ3 | 0.8852 |
85 | 9W5 | 0.8851 |
86 | AKD | 0.8843 |
87 | VJP | 0.8842 |
88 | 5MD | 0.8842 |
89 | ONZ | 0.8840 |
90 | A7K | 0.8834 |
91 | TCC | 0.8828 |
92 | HLP | 0.8826 |
93 | ISC | 0.8825 |
94 | DCZ | 0.8824 |
95 | JAA | 0.8823 |
96 | NOS | 0.8819 |
97 | JCQ | 0.8816 |
98 | R75 | 0.8813 |
99 | NWD | 0.8801 |
100 | 2N0 | 0.8792 |
101 | INF | 0.8791 |
102 | A7M | 0.8791 |
103 | BB4 | 0.8787 |
104 | IMH | 0.8780 |
105 | ZYV | 0.8780 |
106 | ELH | 0.8777 |
107 | LJ4 | 0.8776 |
108 | TBN | 0.8774 |
109 | ALA PHE | 0.8774 |
110 | NAL | 0.8770 |
111 | C0Y | 0.8768 |
112 | FMB | 0.8767 |
113 | 4EU | 0.8766 |
114 | CW6 | 0.8764 |
115 | 108 | 0.8756 |
116 | DUR | 0.8754 |
117 | UKW | 0.8753 |
118 | TOM | 0.8751 |
119 | Q5M | 0.8745 |
120 | 2J6 | 0.8744 |
121 | 3EB | 0.8741 |
122 | 1OQ | 0.8736 |
123 | DNB | 0.8736 |
124 | S7V | 0.8736 |
125 | 3IP | 0.8735 |
126 | FIP | 0.8733 |
127 | SE5 | 0.8732 |
128 | 54F | 0.8732 |
129 | VIB | 0.8728 |
130 | NXB | 0.8719 |
131 | RE4 | 0.8717 |
132 | 2TU | 0.8717 |
133 | OX2 | 0.8714 |
134 | MDR | 0.8714 |
135 | 5JT | 0.8713 |
136 | 5OU | 0.8709 |
137 | EBP | 0.8706 |
138 | YTZ | 0.8703 |
139 | CWP | 0.8698 |
140 | Q2R | 0.8693 |
141 | 94M | 0.8693 |
142 | 3IB | 0.8688 |
143 | LVB | 0.8682 |
144 | TZM | 0.8679 |
145 | 2E5 | 0.8678 |
146 | LVP | 0.8677 |
147 | ASE | 0.8675 |
148 | ALN | 0.8667 |
149 | HA6 | 0.8660 |
150 | Y3J | 0.8657 |
151 | IAG | 0.8657 |
152 | RPN | 0.8654 |
153 | QKD | 0.8654 |
154 | 2E7 | 0.8651 |
155 | 2E6 | 0.8650 |
156 | 2H4 | 0.8649 |
157 | ET0 | 0.8645 |
158 | TOP | 0.8644 |
159 | IOP | 0.8643 |
160 | 5FD | 0.8637 |
161 | 5F1 | 0.8636 |
162 | 2E4 | 0.8636 |
163 | 2OH | 0.8636 |
164 | 7Z9 | 0.8633 |
165 | ISJ | 0.8631 |
166 | 5WN | 0.8621 |
167 | 5AV | 0.8618 |
168 | 0QA | 0.8617 |
169 | 5UD | 0.8615 |
170 | 4E5 | 0.8611 |
171 | QJA | 0.8610 |
172 | XYA | 0.8609 |
173 | MTH | 0.8608 |
174 | SRE | 0.8608 |
175 | FMC | 0.8607 |
176 | 43P | 0.8606 |
177 | 29Q | 0.8604 |
178 | DYZ | 0.8600 |
179 | H48 | 0.8599 |
180 | 4JW | 0.8598 |
181 | MTA | 0.8597 |
182 | 9F8 | 0.8592 |
183 | Q9P | 0.8592 |
184 | 4Y2 | 0.8589 |
185 | NWL | 0.8589 |
186 | MTM | 0.8589 |
187 | RVE | 0.8579 |
188 | 4A1 | 0.8576 |
189 | SLY | 0.8571 |
190 | QD0 | 0.8569 |
191 | QJ1 | 0.8559 |
192 | BZQ | 0.8555 |
193 | 6HO | 0.8520 |
194 | 3NF | 0.8517 |
This union binding pocket(no: 7) in the query (biounit: 2bys.bio1) has 140 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AFH | L0B | 33.0396 |
2 | 4AFH | L0B | 33.0396 |
This union binding pocket(no: 9) in the query (biounit: 2bys.bio1) has 150 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AFH | L0B | 33.0396 |
2 | 4AFH | L0B | 33.0396 |