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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 | 3RL | 0.9495 |
2 | MRE | 0.9357 |
3 | H32 | 0.9227 |
4 | 041 | 0.9208 |
5 | 697 | 0.9204 |
6 | NU3 | 0.9177 |
7 | LU2 | 0.9173 |
8 | C17 | 0.9166 |
9 | OSY | 0.9142 |
10 | 1W4 | 0.9133 |
11 | AGI | 0.9116 |
12 | J8D | 0.9112 |
13 | PIT | 0.9109 |
14 | NAR | 0.9094 |
15 | 1UR | 0.9086 |
16 | 907 | 0.9084 |
17 | AV6 | 0.9075 |
18 | 7GK | 0.9071 |
19 | 6JP | 0.9062 |
20 | 1UT | 0.9056 |
21 | STL | 0.9055 |
22 | 136 | 0.9052 |
23 | 6BK | 0.9043 |
24 | F08 | 0.9041 |
25 | 334 | 0.9022 |
26 | M16 | 0.9015 |
27 | 5LP | 0.9013 |
28 | MHB | 0.9007 |
29 | 1V0 | 0.9006 |
30 | 3TI | 0.9000 |
31 | RPB | 0.8998 |
32 | 1V8 | 0.8998 |
33 | 2ZI | 0.8996 |
34 | 1WZ | 0.8996 |
35 | QUE | 0.8990 |
36 | J2W | 0.8986 |
37 | SAK | 0.8982 |
38 | S16 | 0.8974 |
39 | 68C | 0.8974 |
40 | F36 | 0.8972 |
41 | 6X1 | 0.8970 |
42 | 79X | 0.8959 |
43 | A64 | 0.8947 |
44 | AX1 | 0.8941 |
45 | 5XM | 0.8939 |
46 | IW3 | 0.8938 |
47 | C18 | 0.8931 |
48 | 97K | 0.8918 |
49 | W2E | 0.8918 |
50 | 8M5 | 0.8913 |
51 | O9T | 0.8911 |
52 | 06R | 0.8910 |
53 | 338 | 0.8909 |
54 | LJ2 | 0.8907 |
55 | 8XY | 0.8903 |
56 | 9C8 | 0.8894 |
57 | CWE | 0.8894 |
58 | O9Z | 0.8893 |
59 | KVN | 0.8891 |
60 | HCC | 0.8884 |
61 | HWB | 0.8883 |
62 | 08C | 0.8880 |
63 | G2V | 0.8877 |
64 | 6B5 | 0.8873 |
65 | XAV | 0.8870 |
66 | 5WW | 0.8866 |
67 | IY5 | 0.8862 |
68 | KMP | 0.8855 |
69 | L43 | 0.8855 |
70 | 244 | 0.8855 |
71 | KUQ | 0.8850 |
72 | 3JD | 0.8847 |
73 | OUG | 0.8845 |
74 | OUA | 0.8845 |
75 | KVW | 0.8840 |
76 | 27F | 0.8840 |
77 | 29F | 0.8839 |
78 | IDE | 0.8836 |
79 | NTI | 0.8835 |
80 | FYO | 0.8833 |
81 | 6QX | 0.8829 |
82 | 3MI | 0.8826 |
83 | MYC | 0.8826 |
84 | P34 | 0.8826 |
85 | WG8 | 0.8825 |
86 | S13 | 0.8825 |
87 | DX8 | 0.8822 |
88 | IW5 | 0.8820 |
89 | AOB | 0.8820 |
90 | NNF | 0.8818 |
91 | 1VG | 0.8816 |
92 | 68Q | 0.8802 |
93 | 5EZ | 0.8802 |
94 | BUN | 0.8801 |
95 | IW4 | 0.8799 |
96 | B1N | 0.8798 |
97 | 31F | 0.8798 |
98 | DMB | 0.8795 |
99 | F1T | 0.8795 |
100 | B1W | 0.8795 |
101 | KS2 | 0.8790 |
102 | TNC | 0.8788 |
103 | 7LU | 0.8787 |
104 | BVB | 0.8783 |
105 | 1UZ | 0.8783 |
106 | KVQ | 0.8779 |
107 | 245 | 0.8777 |
108 | 1UA | 0.8775 |
109 | GN5 | 0.8772 |
110 | DQH | 0.8770 |
111 | O9Q | 0.8768 |
112 | ECZ | 0.8766 |
113 | BGC BGC | 0.8765 |
114 | OSJ | 0.8765 |
115 | 797 | 0.8763 |
116 | 4BE | 0.8757 |
117 | 8J4 | 0.8755 |
118 | A63 | 0.8753 |
119 | T5J | 0.8748 |
120 | EBB | 0.8744 |
121 | F33 | 0.8742 |
122 | M07 | 0.8741 |
123 | OQR | 0.8740 |
124 | DZ3 | 0.8737 |
125 | IZ9 | 0.8732 |
126 | 6MY | 0.8731 |
127 | BUX | 0.8730 |
128 | 135 | 0.8724 |
129 | O53 | 0.8721 |
130 | A26 | 0.8715 |
131 | LZ7 | 0.8711 |
132 | 123 | 0.8691 |
133 | 802 | 0.8688 |
134 | 0O7 | 0.8686 |
135 | OSD | 0.8685 |
136 | LJ1 | 0.8683 |
137 | 7FC | 0.8682 |
138 | S06 | 0.8677 |
139 | TH1 | 0.8670 |
140 | S1C | 0.8665 |
141 | M09 | 0.8663 |
142 | E9L | 0.8663 |
143 | KXN | 0.8652 |
144 | 9B2 | 0.8650 |
145 | 4AJ | 0.8649 |
146 | J2Q | 0.8643 |
147 | OAQ | 0.8641 |
148 | 1AV | 0.8628 |
149 | BO1 | 0.8626 |
150 | CTI | 0.8626 |
151 | 9AW | 0.8622 |
152 | 1UW | 0.8606 |
153 | 397 | 0.8605 |
154 | 3K1 | 0.8601 |
155 | 97Z | 0.8600 |
156 | 9EG | 0.8592 |
157 | A92 | 0.8584 |
158 | BCE | 0.8578 |
159 | HUL | 0.8570 |
160 | XEB | 0.8569 |
161 | SNP | 0.8566 |
162 | M85 | 0.8552 |
163 | 55H | 0.8524 |
164 | B1K | 0.8518 |
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 |