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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 5VM6 | ic50 = 78 nM | 9EG | C13 H9 Cl3 N2 O | c1cc(ccc1N.... |
2 | 5VL2 | Kd = 3.77 nM | 9EG | C13 H9 Cl3 N2 O | c1cc(ccc1N.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 1QD0 | - | RR6 | C35 H25 N9 O22 S6 | c1cc(c(cc1.... |
2 | 6ITP | Kd = 22.4 uM | HCY | C21 H30 O5 | C[C@]12CCC.... |
3 | 6ITQ | Kd = 20.5 uM | HCY | C21 H30 O5 | C[C@]12CCC.... |
4 | 1I3U | - | RR1 | C19 H16 N8 O10 S3 | c1ccc(c(c1.... |
5 | 5VM6 | ic50 = 78 nM | 9EG | C13 H9 Cl3 N2 O | c1cc(ccc1N.... |
6 | 5VM0 | Kd = 1.6 nM | 9EG | C13 H9 Cl3 N2 O | c1cc(ccc1N.... |
7 | 3LN9 | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
8 | 3QXT | Kd = 6700 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
9 | 3QXV | Kd = 5 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
10 | 2X6M | - | GLY TYR GLN ASP TYR GLU PRO GLU ALA | n/a | n/a |
11 | 5VL2 | Kd = 3.77 nM | 9EG | C13 H9 Cl3 N2 O | c1cc(ccc1N.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CIU | 0.9546 |
2 | 245 | 0.9495 |
3 | AZB | 0.9438 |
4 | AU6 | 0.9423 |
5 | BSU | 0.9318 |
6 | F5N | 0.9301 |
7 | 2X1 | 0.9269 |
8 | ZUF | 0.9260 |
9 | K0G | 0.9240 |
10 | STL | 0.9162 |
11 | ZTW | 0.9162 |
12 | 4KN | 0.9140 |
13 | L02 | 0.9121 |
14 | 3K1 | 0.9114 |
15 | 4BE | 0.9108 |
16 | NNF | 0.9108 |
17 | 1Q2 | 0.9106 |
18 | IW3 | 0.9090 |
19 | 23M | 0.9087 |
20 | 2RB | 0.9078 |
21 | WA1 | 0.9077 |
22 | KWD | 0.9070 |
23 | HAU | 0.9063 |
24 | J3B | 0.9054 |
25 | 246 | 0.9048 |
26 | L43 | 0.9048 |
27 | G2V | 0.9047 |
28 | FJR | 0.9042 |
29 | PIT | 0.9036 |
30 | N0E | 0.9011 |
31 | E8Z | 0.9005 |
32 | 9M9 | 0.9004 |
33 | HMO | 0.8997 |
34 | 397 | 0.8996 |
35 | S38 | 0.8991 |
36 | 6LU | 0.8990 |
37 | 4B8 | 0.8990 |
38 | D26 | 0.8988 |
39 | 1UA | 0.8987 |
40 | HDI | 0.8985 |
41 | TFX | 0.8984 |
42 | 4P9 | 0.8984 |
43 | BCE | 0.8983 |
44 | IW5 | 0.8972 |
45 | HCC | 0.8946 |
46 | IPJ | 0.8945 |
47 | J2N | 0.8938 |
48 | RF2 | 0.8938 |
49 | 1Q1 | 0.8937 |
50 | 135 | 0.8926 |
51 | 39R | 0.8923 |
52 | Y27 | 0.8921 |
53 | C0V | 0.8920 |
54 | 0S0 | 0.8918 |
55 | K0Z | 0.8917 |
56 | 38D | 0.8917 |
57 | DZ3 | 0.8911 |
58 | ESJ | 0.8907 |
59 | F08 | 0.8902 |
60 | 1R5 | 0.8900 |
61 | 120 | 0.8898 |
62 | J2W | 0.8896 |
63 | K5D | 0.8891 |
64 | 55H | 0.8889 |
65 | 1PB | 0.8883 |
66 | 0NJ | 0.8882 |
67 | 49G | 0.8877 |
68 | W2E | 0.8877 |
69 | JPW | 0.8877 |
70 | 68C | 0.8876 |
71 | BVB | 0.8875 |
72 | 124 | 0.8873 |
73 | 4ZW | 0.8867 |
74 | LJ2 | 0.8865 |
75 | K97 | 0.8864 |
76 | 2OX | 0.8862 |
77 | 802 | 0.8859 |
78 | GW9 | 0.8844 |
79 | 123 | 0.8841 |
80 | 122 | 0.8834 |
81 | BMZ | 0.8834 |
82 | E98 | 0.8828 |
83 | XEB | 0.8824 |
84 | EEY | 0.8822 |
85 | M16 | 0.8821 |
86 | GYZ | 0.8820 |
87 | SJR | 0.8818 |
88 | E92 | 0.8814 |
89 | A9E | 0.8810 |
90 | 9PC | 0.8809 |
91 | 7GK | 0.8801 |
92 | MBT | 0.8801 |
93 | 907 | 0.8798 |
94 | BUN | 0.8798 |
95 | Y0R | 0.8797 |
96 | ENY | 0.8793 |
97 | LZ3 | 0.8784 |
98 | 3RL | 0.8783 |
99 | 4CN | 0.8781 |
100 | BXS | 0.8775 |
101 | 5ET | 0.8774 |
102 | 1GV | 0.8770 |
103 | HPK | 0.8768 |
104 | K3T | 0.8761 |
105 | 6H2 | 0.8756 |
106 | MR4 | 0.8752 |
107 | TEF | 0.8738 |
108 | XAV | 0.8732 |
109 | 334 | 0.8732 |
110 | F33 | 0.8732 |
111 | 9AW | 0.8730 |
112 | HPX | 0.8725 |
113 | CR4 | 0.8722 |
114 | HH7 | 0.8716 |
115 | OLU | 0.8711 |
116 | 8M5 | 0.8705 |
117 | 4FC | 0.8692 |
118 | 801 | 0.8688 |
119 | 97K | 0.8680 |
120 | TUE | 0.8679 |
121 | KS2 | 0.8677 |
122 | B1W | 0.8673 |
123 | 97Z | 0.8673 |
124 | 9B2 | 0.8672 |
125 | B1N | 0.8667 |
126 | FJU | 0.8664 |
127 | S0B | 0.8663 |
128 | Z3R | 0.8661 |
129 | BAI | 0.8660 |
130 | HPZ | 0.8650 |
131 | OSY | 0.8648 |
132 | 1UT | 0.8648 |
133 | GEN | 0.8638 |
134 | C9G | 0.8632 |
135 | 7FZ | 0.8627 |
136 | F36 | 0.8626 |
137 | G27 | 0.8626 |
138 | HTK | 0.8624 |
139 | WF4 | 0.8622 |
140 | 7EH | 0.8620 |
141 | 5TU | 0.8618 |
142 | GA6 | 0.8613 |
143 | D25 | 0.8610 |
144 | LWA | 0.8607 |
145 | 08C | 0.8603 |
146 | 22M | 0.8600 |
147 | 9YD | 0.8594 |
148 | 1VG | 0.8593 |
149 | 8EC | 0.8592 |
150 | EES | 0.8590 |
151 | 136 | 0.8583 |
152 | 06R | 0.8583 |
153 | 1V8 | 0.8579 |
154 | 29F | 0.8576 |
155 | A26 | 0.8550 |
156 | 5XM | 0.8534 |
157 | 18A | 0.8534 |
158 | ZYC | 0.8532 |
159 | 31F | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 5vl2.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5vl2.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5vl2.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5vl2.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5vl2.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 5vl2.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 5vl2.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 5vl2.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |