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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
16 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
17 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
18 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
19 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
20 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
21 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
16 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
17 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
18 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
19 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
20 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
21 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
22 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
23 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
24 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
25 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
26 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
27 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
28 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
29 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
30 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
31 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
32 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
33 | 6NRG | ic50 = 56 nM | KYY | C17 H12 F N5 O3 | c1cc2c(c(o.... |
34 | 6NRJ | ic50 = 36 nM | KYJ | C26 H20 N4 O4 | c1ccc2c(c1.... |
35 | 6NRI | ic50 = 27 nM | KYM | C25 H21 N5 O4 | c1cc2c(c(c.... |
36 | 6NTU | - | GLC FRU | n/a | n/a |
37 | 6NRF | ic50 = 18 nM | KYV | C28 H25 N5 O4 | c1ccc2c(c1.... |
38 | 6NRH | ic50 = 55 nM | KYP | C25 H23 N5 O4 | c1cc2c(c(o.... |
39 | 6BHV | Kd = 5.87 uM | DQV | C22 H28 N6 O14 P2 | c1cc(cc(c1.... |
40 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
41 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
42 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
43 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
44 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
45 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
46 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ZW2 | 0.9252 |
2 | PMM | 0.9204 |
3 | F41 | 0.9166 |
4 | GVI | 0.9159 |
5 | OQR | 0.9149 |
6 | N18 | 0.9147 |
7 | M1D | 0.9144 |
8 | HBI | 0.9115 |
9 | 22T | 0.9108 |
10 | D5F | 0.9100 |
11 | OAQ | 0.9098 |
12 | LU2 | 0.9096 |
13 | IXG | 0.9091 |
14 | F91 | 0.9081 |
15 | 5XM | 0.9077 |
16 | 1CE | 0.9067 |
17 | 4VC | 0.9067 |
18 | 68C | 0.9058 |
19 | SDN | 0.9057 |
20 | D4X | 0.9044 |
21 | 0HY | 0.9038 |
22 | NAR | 0.9038 |
23 | 9X0 | 0.9037 |
24 | JP3 | 0.9031 |
25 | NNF | 0.9022 |
26 | E6Q | 0.9015 |
27 | 0J2 | 0.9006 |
28 | D4O | 0.8999 |
29 | 9OL | 0.8996 |
30 | QAD | 0.8995 |
31 | D64 | 0.8995 |
32 | 97K | 0.8995 |
33 | 5EZ | 0.8988 |
34 | ADL | 0.8984 |
35 | 35K | 0.8984 |
36 | L6Y | 0.8982 |
37 | HUL | 0.8982 |
38 | Z25 | 0.8979 |
39 | 7PS | 0.8975 |
40 | QUE | 0.8969 |
41 | 0RB | 0.8964 |
42 | 5XK | 0.8963 |
43 | C0V | 0.8963 |
44 | GEN | 0.8962 |
45 | UN9 | 0.8945 |
46 | CHJ | 0.8944 |
47 | KOT | 0.8943 |
48 | Z17 | 0.8935 |
49 | DE7 | 0.8933 |
50 | 3WL | 0.8932 |
51 | E92 | 0.8931 |
52 | 4HG | 0.8922 |
53 | 7PJ | 0.8922 |
54 | E98 | 0.8918 |
55 | PW5 | 0.8911 |
56 | BXS | 0.8905 |
57 | 00G | 0.8904 |
58 | D9Q | 0.8890 |
59 | PNX | 0.8878 |
60 | G30 | 0.8877 |
61 | M9K | 0.8877 |
62 | AP6 | 0.8877 |
63 | KUQ | 0.8874 |
64 | ZEA | 0.8871 |
65 | 667 | 0.8868 |
66 | T5J | 0.8863 |
67 | 4YE | 0.8857 |
68 | PQD | 0.8857 |
69 | LVB | 0.8853 |
70 | TYP | 0.8852 |
71 | NEU | 0.8850 |
72 | 8Y7 | 0.8847 |
73 | K8Y | 0.8838 |
74 | WG8 | 0.8834 |
75 | 2JP | 0.8831 |
76 | RNP | 0.8825 |
77 | P34 | 0.8824 |
78 | LVE | 0.8817 |
79 | ALJ | 0.8816 |
80 | 100 | 0.8815 |
81 | C17 | 0.8812 |
82 | 0LA | 0.8804 |
83 | 14X | 0.8790 |
84 | X0T | 0.8787 |
85 | M77 | 0.8787 |
86 | TEF | 0.8787 |
87 | 15I | 0.8786 |
88 | KU1 | 0.8785 |
89 | FSU | 0.8784 |
90 | 6EO | 0.8783 |
91 | 4YF | 0.8781 |
92 | 3N0 | 0.8778 |
93 | 5WS | 0.8777 |
94 | 6BK | 0.8776 |
95 | KXN | 0.8773 |
96 | KVW | 0.8772 |
97 | SIJ | 0.8770 |
98 | SAQ | 0.8769 |
99 | OAL | 0.8768 |
100 | RKY | 0.8764 |
101 | IDE | 0.8764 |
102 | MUX | 0.8761 |
103 | 9PP | 0.8757 |
104 | TOL | 0.8754 |
105 | 4CN | 0.8753 |
106 | A8D | 0.8751 |
107 | FNT | 0.8751 |
108 | TCW | 0.8743 |
109 | MPU | 0.8741 |
110 | D87 | 0.8737 |
111 | 2QU | 0.8737 |
112 | H4B | 0.8736 |
113 | 1Q4 | 0.8736 |
114 | P1J | 0.8734 |
115 | PE2 | 0.8734 |
116 | 1UA | 0.8734 |
117 | EMU | 0.8730 |
118 | 5XL | 0.8728 |
119 | 4P9 | 0.8725 |
120 | 4KN | 0.8723 |
121 | Q19 | 0.8713 |
122 | 5MX | 0.8710 |
123 | 53N | 0.8710 |
124 | 246 | 0.8710 |
125 | LD9 | 0.8699 |
126 | EBB | 0.8698 |
127 | PW8 | 0.8696 |
128 | CMP | 0.8696 |
129 | WLH | 0.8692 |
130 | H2B | 0.8691 |
131 | SNP | 0.8690 |
132 | JXA | 0.8689 |
133 | OAK | 0.8689 |
134 | BDE | 0.8682 |
135 | 4JV | 0.8681 |
136 | C09 | 0.8679 |
137 | 3D3 | 0.8664 |
138 | 3WK | 0.8660 |
139 | FO2 | 0.8656 |
140 | 1BD | 0.8654 |
141 | F38 | 0.8653 |
142 | 7LU | 0.8651 |
143 | KLV | 0.8651 |
144 | 5RU | 0.8649 |
145 | A5W | 0.8646 |
146 | 52F | 0.8645 |
147 | 4UM | 0.8645 |
148 | 6UW | 0.8641 |
149 | WDW | 0.8639 |
150 | 5TQ | 0.8635 |
151 | OVS | 0.8632 |
152 | PNW | 0.8627 |
153 | Q5M | 0.8625 |
154 | EEK | 0.8621 |
155 | LIT | 0.8619 |
156 | BP5 | 0.8617 |
157 | TKT | 0.8615 |
158 | SCE | 0.8615 |
159 | 3G3 | 0.8614 |
160 | QUB | 0.8613 |
161 | 9ME | 0.8609 |
162 | DQH | 0.8608 |
163 | BC3 | 0.8592 |
164 | PNG | 0.8589 |
165 | BHS | 0.8578 |
166 | DBT | 0.8577 |
167 | IEE | 0.8570 |
168 | JV5 | 0.8568 |
169 | XG1 | 0.8563 |
170 | 87F | 0.8554 |
171 | CMG | 0.8553 |
172 | 1HR | 0.8551 |
173 | JOE | 0.8551 |
174 | BRZ | 0.8551 |
175 | LMZ | 0.8550 |
176 | K7H | 0.8548 |
177 | JVB | 0.8544 |
178 | 9MK | 0.8535 |
179 | MHB | 0.8531 |
180 | KVQ | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 4pjt.bio2) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 2) in the query (biounit: 4pjt.bio3) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 3) in the query (biounit: 4pjt.bio4) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 4) in the query (biounit: 4pjt.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3ESS | 18N | 5.65217 |
2 | 6W65 | T9D | 10.1083 |