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- 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 41 families. | |||||
1 | 1L2S | Ki = 26 uM | STC | C11 H8 Cl N O4 S2 | c1cc(ccc1N.... |
2 | 4OLD | - | 2UZ | C7 H10 N2 O4 S | C1C=C(NC(S.... |
3 | 4JXW | Ki = 19 uM | 1MW | C15 H15 N O6 S2 | c1cc(ccc1C.... |
4 | 4KZ8 | Ki = 1.6 mM | 1U6 | C8 H12 N2 O2 S | CCN1C(=O)C.... |
5 | 2HDU | Ki = 5 mM | F12 | C7 H7 N O3 S | CC(=O)Nc1c.... |
6 | 1KVL | - | KCP | C14 H16 N2 O5 S2 | CC1=C(N[C@.... |
7 | 1PI5 | Ki = 17 nM | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
8 | 2R9W | Ki = 8 uM | 23C | C22 H15 N O6 | c1ccc2c(c1.... |
9 | 2PU2 | Ki = 37 uM | DK2 | C18 H13 N O7 | c1cc(ccc1C.... |
10 | 1XGJ | Ki = 1 uM | HTC | C12 H9 N O7 S2 | c1cc(c(cc1.... |
11 | 1PI4 | Ki = 37 nM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
12 | 1XGI | Ki = 14 uM | NST | C11 H8 N2 O6 S2 | c1cc(cc(c1.... |
13 | 3GV9 | Ki = 7.5 mM | GV9 | C7 H7 N O3 S | CC(=O)Nc1c.... |
14 | 1O07 | - | MXG | C24 H36 N6 O9 S | C[C@@H](C(.... |
15 | 3GTC | Ki = 4.5 mM | GTC | C9 H13 N3 O2 S | C1CC[C@H](.... |
16 | 4KZ3 | Ki = 1.7 mM | 1U1 | C5 H4 Cl N O4 S2 | c1c(c(sc1C.... |
17 | 4KZ7 | Ki = 3.2 mM | 1U5 | C10 H14 O4 | C[C@]12CC[.... |
18 | 2HDR | Ki = 19 mM | 4A3 | C7 H7 N O3 | c1cc(c(cc1.... |
19 | 1LL9 | - | AXL | C16 H21 N3 O5 S | CC1([C@@H].... |
20 | 4JXS | Ki = 18 uM | 18U | C13 H11 N O6 S2 | c1cc(ccc1C.... |
21 | 2R9X | Ki = 14 uM | WH6 | C23 H17 N O6 | c1ccc2c(c1.... |
22 | 4KZ4 | Ki = 0.07 mM | 4A1 | C10 H13 N O4 S | CCCS(=O)(=.... |
23 | 6T5Y | ic50 = 7.6 uM | C8V | C13 H23 N5 O7 S | C1C[C@H](C.... |
24 | 4KZB | Ki = 1.3 mM | NZ3 | C10 H13 N O4 S | C[C@H](C(=.... |
25 | 1L0G | - | GLC FRU | n/a | n/a |
26 | 1MY8 | Ki = 0.035 uM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
27 | 2HDS | Ki = 10 mM | 4MB | C8 H9 N O4 S | CS(=O)(=O).... |
28 | 4OKP | - | 2V0 | C8 H12 N2 O4 S | CC1=C(N[C@.... |
29 | 3GRJ | Ki = 1 mM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
30 | 4KZ5 | Ki < 10 mM | 1U3 | C13 H11 Cl N2 O4 | Cc1c(c(no1.... |
31 | 3GVB | Ki = 2.6 mM | 3GV | C11 H11 N O4 | c1ccc(c(c1.... |
32 | 4KZ9 | - | 1U7 | C15 H21 N O | c1ccc(cc1).... |
33 | 3GR2 | Ki = 3 mM | GF4 | C7 H10 N6 O | CCC1=C(NN(.... |
34 | 3GSG | Ki = 2 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
35 | 6TPM | ic50 = 6.61 uM | MK7 | C12 H22 N4 O6 S | C1C[C@H](N.... |
36 | 4JXV | Ki = 31 uM | 1MU | C14 H13 N O6 S2 | c1cc(ccc1C.... |
37 | 2HDQ | Ki = 40 mM | C21 | C5 H4 O2 S | c1cc(sc1)C.... |
38 | 4KZ6 | Ki = 0.8 mM | ZB6 | C10 H17 N O3 S | C[C@@H]1CC.... |
39 | 3GQZ | Ki = 6.7 mM | GF7 | C13 H13 N O4 | CC(=O)c1cc.... |
40 | 5JOC | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 4KZA | Ki = 0.2 mM | NZ9 | C8 H9 N O4 S2 | c1csc(c1S(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 1L2S | Ki = 26 uM | STC | C11 H8 Cl N O4 S2 | c1cc(ccc1N.... |
2 | 4OLD | - | 2UZ | C7 H10 N2 O4 S | C1C=C(NC(S.... |
3 | 4JXW | Ki = 19 uM | 1MW | C15 H15 N O6 S2 | c1cc(ccc1C.... |
4 | 4KZ8 | Ki = 1.6 mM | 1U6 | C8 H12 N2 O2 S | CCN1C(=O)C.... |
5 | 2HDU | Ki = 5 mM | F12 | C7 H7 N O3 S | CC(=O)Nc1c.... |
6 | 1KVL | - | KCP | C14 H16 N2 O5 S2 | CC1=C(N[C@.... |
7 | 1PI5 | Ki = 17 nM | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
8 | 2R9W | Ki = 8 uM | 23C | C22 H15 N O6 | c1ccc2c(c1.... |
9 | 2PU2 | Ki = 37 uM | DK2 | C18 H13 N O7 | c1cc(ccc1C.... |
10 | 1XGJ | Ki = 1 uM | HTC | C12 H9 N O7 S2 | c1cc(c(cc1.... |
11 | 1PI4 | Ki = 37 nM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
12 | 1XGI | Ki = 14 uM | NST | C11 H8 N2 O6 S2 | c1cc(cc(c1.... |
13 | 3GV9 | Ki = 7.5 mM | GV9 | C7 H7 N O3 S | CC(=O)Nc1c.... |
14 | 1O07 | - | MXG | C24 H36 N6 O9 S | C[C@@H](C(.... |
15 | 3GTC | Ki = 4.5 mM | GTC | C9 H13 N3 O2 S | C1CC[C@H](.... |
16 | 4KZ3 | Ki = 1.7 mM | 1U1 | C5 H4 Cl N O4 S2 | c1c(c(sc1C.... |
17 | 4KZ7 | Ki = 3.2 mM | 1U5 | C10 H14 O4 | C[C@]12CC[.... |
18 | 2HDR | Ki = 19 mM | 4A3 | C7 H7 N O3 | c1cc(c(cc1.... |
19 | 1LL9 | - | AXL | C16 H21 N3 O5 S | CC1([C@@H].... |
20 | 4JXS | Ki = 18 uM | 18U | C13 H11 N O6 S2 | c1cc(ccc1C.... |
21 | 2R9X | Ki = 14 uM | WH6 | C23 H17 N O6 | c1ccc2c(c1.... |
22 | 4KZ4 | Ki = 0.07 mM | 4A1 | C10 H13 N O4 S | CCCS(=O)(=.... |
23 | 6T5Y | ic50 = 7.6 uM | C8V | C13 H23 N5 O7 S | C1C[C@H](C.... |
24 | 4KZB | Ki = 1.3 mM | NZ3 | C10 H13 N O4 S | C[C@H](C(=.... |
25 | 1L0G | - | GLC FRU | n/a | n/a |
26 | 1MY8 | Ki = 0.035 uM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
27 | 2HDS | Ki = 10 mM | 4MB | C8 H9 N O4 S | CS(=O)(=O).... |
28 | 4OKP | - | 2V0 | C8 H12 N2 O4 S | CC1=C(N[C@.... |
29 | 3GRJ | Ki = 1 mM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
30 | 4KZ5 | Ki < 10 mM | 1U3 | C13 H11 Cl N2 O4 | Cc1c(c(no1.... |
31 | 3GVB | Ki = 2.6 mM | 3GV | C11 H11 N O4 | c1ccc(c(c1.... |
32 | 4KZ9 | - | 1U7 | C15 H21 N O | c1ccc(cc1).... |
33 | 3GR2 | Ki = 3 mM | GF4 | C7 H10 N6 O | CCC1=C(NN(.... |
34 | 3GSG | Ki = 2 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
35 | 6TPM | ic50 = 6.61 uM | MK7 | C12 H22 N4 O6 S | C1C[C@H](N.... |
36 | 4JXV | Ki = 31 uM | 1MU | C14 H13 N O6 S2 | c1cc(ccc1C.... |
37 | 2HDQ | Ki = 40 mM | C21 | C5 H4 O2 S | c1cc(sc1)C.... |
38 | 4KZ6 | Ki = 0.8 mM | ZB6 | C10 H17 N O3 S | C[C@@H]1CC.... |
39 | 3GQZ | Ki = 6.7 mM | GF7 | C13 H13 N O4 | CC(=O)c1cc.... |
40 | 5JOC | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 4KZA | Ki = 0.2 mM | NZ9 | C8 H9 N O4 S2 | c1csc(c1S(.... |
42 | 6PWM | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
43 | 6PWL | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
44 | 6KA5 | - | 1S7 | C15 H16 N2 O5 S2 | CO[C@@](C=.... |
45 | 5K1F | Ki = 16.2 uM | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
46 | 5K1D | Ki = 20.8 uM | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | A05 | 0.9226 |
2 | TVZ | 0.9208 |
3 | J1K | 0.9199 |
4 | A9B | 0.9181 |
5 | RYJ | 0.9142 |
6 | WLH | 0.9111 |
7 | NVS | 0.9090 |
8 | ESJ | 0.9069 |
9 | 0K7 | 0.9061 |
10 | 20D | 0.9061 |
11 | TID | 0.9060 |
12 | 4AU | 0.9051 |
13 | 72G | 0.9046 |
14 | BX4 | 0.9045 |
15 | 1V8 | 0.9044 |
16 | 1XS | 0.9043 |
17 | HHB | 0.9042 |
18 | WDW | 0.9038 |
19 | NKI | 0.9036 |
20 | 124 | 0.9032 |
21 | IDZ | 0.9029 |
22 | SZ5 | 0.8990 |
23 | LI7 | 0.8990 |
24 | RGK | 0.8989 |
25 | 5YA | 0.8988 |
26 | M5A | 0.8985 |
27 | 4FC | 0.8985 |
28 | BRY | 0.8978 |
29 | 4UM | 0.8978 |
30 | Q2S | 0.8977 |
31 | LWA | 0.8970 |
32 | 272 | 0.8968 |
33 | 5M2 | 0.8967 |
34 | O53 | 0.8959 |
35 | U4J | 0.8949 |
36 | L2K | 0.8948 |
37 | 25F | 0.8942 |
38 | RPN | 0.8938 |
39 | 6T5 | 0.8934 |
40 | 8V8 | 0.8933 |
41 | 28A | 0.8917 |
42 | 135 | 0.8915 |
43 | 42R | 0.8913 |
44 | 1FL | 0.8907 |
45 | HH6 | 0.8906 |
46 | 3F4 | 0.8905 |
47 | 5TU | 0.8899 |
48 | N5B | 0.8899 |
49 | FMQ | 0.8895 |
50 | WF4 | 0.8887 |
51 | T21 | 0.8885 |
52 | WG8 | 0.8884 |
53 | TVC | 0.8877 |
54 | 0UL | 0.8870 |
55 | IXM | 0.8859 |
56 | 6FX | 0.8857 |
57 | 338 | 0.8854 |
58 | C0V | 0.8849 |
59 | ARJ | 0.8842 |
60 | NOC | 0.8842 |
61 | 5ZM | 0.8840 |
62 | 90M | 0.8840 |
63 | XYP XYP | 0.8832 |
64 | VBC | 0.8829 |
65 | S1C | 0.8827 |
66 | 3K1 | 0.8827 |
67 | S1D | 0.8821 |
68 | J27 | 0.8818 |
69 | SJR | 0.8813 |
70 | 2UV | 0.8810 |
71 | 6H2 | 0.8806 |
72 | 5WW | 0.8801 |
73 | 4RG | 0.8801 |
74 | A8D | 0.8788 |
75 | 5O6 | 0.8787 |
76 | Q92 | 0.8786 |
77 | 6P3 | 0.8779 |
78 | FBC | 0.8779 |
79 | 1A5 | 0.8778 |
80 | 0MB | 0.8778 |
81 | 1V4 | 0.8777 |
82 | 9JT | 0.8776 |
83 | 3CA | 0.8755 |
84 | J84 | 0.8754 |
85 | C4F | 0.8753 |
86 | JCQ | 0.8752 |
87 | 3Q0 | 0.8752 |
88 | 121 | 0.8751 |
89 | NAR | 0.8750 |
90 | GVI | 0.8749 |
91 | 397 | 0.8749 |
92 | BXS | 0.8748 |
93 | 72H | 0.8747 |
94 | A9E | 0.8745 |
95 | KWV | 0.8745 |
96 | SNV | 0.8741 |
97 | FSE | 0.8741 |
98 | OSY | 0.8738 |
99 | 90G | 0.8734 |
100 | BVS | 0.8729 |
101 | KU1 | 0.8728 |
102 | JFS | 0.8726 |
103 | 1HP | 0.8725 |
104 | H75 | 0.8721 |
105 | ADN | 0.8712 |
106 | A18 | 0.8710 |
107 | A4N | 0.8709 |
108 | 1V3 | 0.8702 |
109 | E9L | 0.8701 |
110 | 22M | 0.8697 |
111 | NZ4 | 0.8696 |
112 | 5FD | 0.8695 |
113 | MTA | 0.8693 |
114 | UN9 | 0.8692 |
115 | MI2 | 0.8692 |
116 | OSP | 0.8691 |
117 | U55 | 0.8688 |
118 | A5Q | 0.8683 |
119 | 1OT | 0.8683 |
120 | 613 | 0.8682 |
121 | A45 | 0.8682 |
122 | JPQ | 0.8681 |
123 | 1R5 | 0.8679 |
124 | CBE | 0.8679 |
125 | CDJ | 0.8666 |
126 | D1Y | 0.8665 |
127 | W8L | 0.8664 |
128 | 6DQ | 0.8649 |
129 | XYS XYP | 0.8648 |
130 | 0NJ | 0.8646 |
131 | XYS AZI XYS | 0.8645 |
132 | LR8 | 0.8638 |
133 | 2JX | 0.8636 |
134 | 250 | 0.8633 |
135 | TCL | 0.8631 |
136 | EF2 | 0.8630 |
137 | UN3 | 0.8628 |
138 | 6F3 | 0.8624 |
139 | M2E | 0.8623 |
140 | DCN | 0.8621 |
141 | 5TO | 0.8620 |
142 | 7G1 | 0.8616 |
143 | RVE | 0.8609 |
144 | H2W | 0.8607 |
145 | ENG | 0.8606 |
146 | TH1 | 0.8606 |
147 | DFV | 0.8602 |
148 | Y3J | 0.8601 |
149 | 68C | 0.8598 |
150 | AD3 | 0.8598 |
151 | 3AD | 0.8596 |
152 | VIB | 0.8581 |
153 | GVO | 0.8580 |
154 | 1E5 | 0.8576 |
155 | FT3 | 0.8575 |
156 | A4Q | 0.8572 |
157 | AX1 | 0.8572 |
158 | 1AJ | 0.8566 |
159 | 6BK | 0.8552 |
160 | FY8 | 0.8551 |
161 | N9M | 0.8548 |
162 | B7H | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 1pi5.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1pi5.bio2) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1pi5.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |