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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 13 families. | |||||
1 | 2QVD | Kd = 0.000000064 M | BER | C20 H18 N O4 | COc1ccc2cc.... |
2 | 1ZWP | - | NIM | C13 H12 N2 O5 S | CS(=O)(=O).... |
3 | 1OXL | - | IDA | C15 H18 N2 O3 | CCCc1cc2cc.... |
4 | 1TG4 | - | PHE LEU ALA TYR LYS | n/a | n/a |
5 | 1SKG | - | VAL ALA PHE ARG SER | n/a | n/a |
6 | 1JQ9 | Kd = 3.57 nM | PHE LEU SER TYR LYS | n/a | n/a |
7 | 2ARM | Kd = 0.000000064 M | OIN | C17 H23 N O3 | CN1[C@H]2C.... |
8 | 1FV0 | Ki = 1.18 uM | 9AR | C17 H11 N O8 | COc1c(ccc2.... |
9 | 1Q7A | Kd = 0.000000064 M | OPB | C19 H20 N2 O3 | CCCC[C@H]1.... |
10 | 1TG1 | - | PHQ LEU VAL ARG TYR | n/a | n/a |
11 | 1ZYX | - | LCF | C23 H22 Cl N O2 | CC1(Cc2c(c.... |
12 | 1TJK | - | PHE LEU SER THR LYS | n/a | n/a |
13 | 1KPM | Ki = 1.59 uM | VIT | C29 H50 O2 | Cc1c(c2c(c.... |
14 | 1TP2 | - | TDA | C13 H26 O2 | CCCCCCCCCC.... |
15 | 1TDV | - | TYR TRP ALA ALA ALA ALA | n/a | n/a |
16 | 1TJ9 | - | VAL ALA ARG SER | n/a | n/a |
17 | 1JQ8 | Ki = 1.01 uM | LEU ALA ILE TYR SER | n/a | n/a |
18 | 1SQZ | - | PHQ ILE ALA ARG SER | n/a | n/a |
19 | 1TGM | - | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
20 | 1ZR8 | - | AJM | C18 H22 N2 O2 | C[N@]1c2cc.... |
21 | 1TH6 | - | OIN | C17 H23 N O3 | CN1[C@H]2C.... |
22 | 1Y38 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
23 | 3H1X | Kd = 0.000000064 M | IMN | C19 H16 Cl N O4 | Cc1c(c2cc(.... |
24 | 1SXK | - | BHA | C7 H7 N O3 | c1cc(c(cc1.... |
25 | 1TK4 | - | ALA ILE ARG SER | n/a | n/a |
26 | 1SV3 | - | ANN | C8 H8 O3 | COc1ccc(cc.... |
27 | 2QHD | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
28 | 3BJW | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 1U4J | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 4YU7 | - | DHC | C9 H8 O4 | c1cc(c(cc1.... |
3 | 3MLM | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
4 | 3CXI | - | VIT | C29 H50 O2 | Cc1c(c2c(c.... |
5 | 1XXS | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
6 | 6PWH | - | VRD | C21 H20 N2 O5 | CCc1c(c2c(.... |
7 | 3CYL | - | VIT | C29 H50 O2 | Cc1c(c2c(c.... |
8 | 6MQF | - | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
9 | 6B81 | - | OCA | C8 H16 O2 | CCCCCCCC(=.... |
10 | 6DIK | - | GKP | C22 H18 O12 | c1c(cc(c(c.... |
11 | 6B80 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
12 | 5VFJ | Kd = 20 uM | DHC | C9 H8 O4 | c1cc(c(cc1.... |
13 | 6B83 | - | 6NA | C6 H12 O2 | CCCCCC(=O).... |
14 | 4YV5 | Kd = 0.6 uM | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
15 | 4YZ7 | - | 9AR | C17 H11 N O8 | COc1c(ccc2.... |
16 | 3QNL | - | ROA | C18 H16 O8 | c1cc(c(cc1.... |
17 | 1Y4L | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
18 | 1FDK | - | GLE | C16 H32 F3 O6 P | CCCCCCCCCC.... |
19 | 1MKV | - | GEL | C20 H45 N O8 P2 | CCCCCCCCOC.... |
20 | 2B96 | - | ANN | C8 H8 O3 | COc1ccc(cc.... |
21 | 5OW8 | ic50 = 6.9 uM | AYN | C16 H11 F3 N2 O | c1ccc2c(c1.... |
22 | 4UY1 | ic50 = 20 uM | TJM | C10 H11 N3 O S | Cc1cc(c(s1.... |
23 | 5OWC | ic50 = 0.026 uM | AYZ | C19 H15 F3 N2 O4 | c1cc(cc(c1.... |
24 | 5G3M | ic50 = 2.2 uM | 9JH | C14 H13 N O | c1ccc(cc1).... |
25 | 2AZY | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
26 | 1HN4 | Kd = 0.15 mM | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
27 | 2B01 | - | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
28 | 1Y6O | - | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
29 | 2AZZ | - | TCH | C26 H45 N O7 S | C[C@H](CCC.... |
30 | 2B04 | - | CHO | C26 H43 N O5 | C[C@H](CCC.... |
31 | 2B00 | - | GCH | C26 H43 N O6 | C[C@H](CCC.... |
32 | 5P2P | - | DHG | C20 H42 N O6 P | CCCCCCCCCC.... |
33 | 3O4M | - | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
34 | 2B03 | - | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
35 | 1L8S | - | LPE | C26 H57 N O6 P | CCCCCCCCCC.... |
36 | 1FXF | - | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
37 | 1FX9 | - | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
38 | 3QLM | Ki = 0.0000158 M | PLM | C16 H32 O2 | CCCCCCCCCC.... |
39 | 1POE | - | GEL | C20 H45 N O8 P2 | CCCCCCCCOC.... |
40 | 1DB4 | - | 8IN | C21 H25 N2 O5 P | Cc1c(c2cc(.... |
41 | 1KQU | - | BR4 | C25 H33 N O3 | c1ccc(cc1).... |
42 | 5G3N | ic50 = 0.012 uM | X28 | C23 H21 N O3 | c1ccc(cc1).... |
43 | 1KVO | ic50 = 0.013 uM | OAP | C31 H37 N O3 S | c1ccc(cc1).... |
44 | 1J1A | ic50 = 0.029 uM | BHP | C31 H37 N O4 | c1ccc(cc1).... |
45 | 6CE2 | Kd = 0.5 uM | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
46 | 2QVD | Kd = 0.000000064 M | BER | C20 H18 N O4 | COc1ccc2cc.... |
47 | 1ZWP | - | NIM | C13 H12 N2 O5 S | CS(=O)(=O).... |
48 | 1OXL | - | IDA | C15 H18 N2 O3 | CCCc1cc2cc.... |
49 | 1TG4 | - | PHE LEU ALA TYR LYS | n/a | n/a |
50 | 1SKG | - | VAL ALA PHE ARG SER | n/a | n/a |
51 | 1JQ9 | Kd = 3.57 nM | PHE LEU SER TYR LYS | n/a | n/a |
52 | 2ARM | Kd = 0.000000064 M | OIN | C17 H23 N O3 | CN1[C@H]2C.... |
53 | 1FV0 | Ki = 1.18 uM | 9AR | C17 H11 N O8 | COc1c(ccc2.... |
54 | 1Q7A | Kd = 0.000000064 M | OPB | C19 H20 N2 O3 | CCCC[C@H]1.... |
55 | 1TG1 | - | PHQ LEU VAL ARG TYR | n/a | n/a |
56 | 1ZYX | - | LCF | C23 H22 Cl N O2 | CC1(Cc2c(c.... |
57 | 1TJK | - | PHE LEU SER THR LYS | n/a | n/a |
58 | 1KPM | Ki = 1.59 uM | VIT | C29 H50 O2 | Cc1c(c2c(c.... |
59 | 1TP2 | - | TDA | C13 H26 O2 | CCCCCCCCCC.... |
60 | 1TDV | - | TYR TRP ALA ALA ALA ALA | n/a | n/a |
61 | 1TJ9 | - | VAL ALA ARG SER | n/a | n/a |
62 | 1JQ8 | Ki = 1.01 uM | LEU ALA ILE TYR SER | n/a | n/a |
63 | 1SQZ | - | PHQ ILE ALA ARG SER | n/a | n/a |
64 | 1TGM | - | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
65 | 1ZR8 | - | AJM | C18 H22 N2 O2 | C[N@]1c2cc.... |
66 | 1TH6 | - | OIN | C17 H23 N O3 | CN1[C@H]2C.... |
67 | 1Y38 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
68 | 3H1X | Kd = 0.000000064 M | IMN | C19 H16 Cl N O4 | Cc1c(c2cc(.... |
69 | 1SXK | - | BHA | C7 H7 N O3 | c1cc(c(cc1.... |
70 | 1TK4 | - | ALA ILE ARG SER | n/a | n/a |
71 | 1SV3 | - | ANN | C8 H8 O3 | COc1ccc(cc.... |
72 | 5WZW | ic50 = 1.23 uM | U8D | C22 H27 N2 O5 P | CCc1c(c2cc.... |
73 | 5WZU | ic50 = 0.1 uM | 7W3 | C21 H17 F3 N2 O5 | Cc1c(c2c(n.... |
74 | 5WZT | ic50 = 0.22 uM | 7W6 | C20 H17 Br N2 O5 | Cc1c(c2c(n.... |
75 | 5WZS | ic50 = 0.28 uM | 7W9 | C24 H20 N2 O5 | Cc1c(c2c(n.... |
76 | 5Y5E | - | 7W3 | C21 H17 F3 N2 O5 | Cc1c(c2c(n.... |
77 | 5WZV | ic50 = 0.21 uM | 7W0 | C26 H22 N2 O5 | Cc1c(c2c(n.... |
78 | 6G5J | ic50 = 0.2 uM | EM8 | C20 H17 F3 N2 O4 | C[C@H](CC(.... |
79 | 2QHD | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
80 | 3BJW | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
81 | 1S8G | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
82 | 1POB | - | GEL | C20 H45 N O8 P2 | CCCCCCCCOC.... |
83 | 1TD7 | Kd = 43 uM | NFL | C13 H9 F3 N2 O2 | c1cc(cc(c1.... |
84 | 1OXR | Kd = 0.000000064 M | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
85 | 2WQ5 | Kd = 180 uM | MIY | C23 H27 N3 O7 | CN(C)c1ccc.... |
86 | 1MF4 | Ki = 10.2 nM | VAL ALA PHE ARG SER | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SLX | 0.9551 |
2 | SAU | 0.9529 |
3 | CTI | 0.9284 |
4 | 01I | 0.9264 |
5 | 4B8 | 0.9214 |
6 | LU2 | 0.9187 |
7 | HBO BGC | 0.9175 |
8 | 6B5 | 0.9171 |
9 | MYC | 0.9160 |
10 | FSE | 0.9150 |
11 | QUE | 0.9138 |
12 | 6FX | 0.9121 |
13 | 5Z5 | 0.9119 |
14 | N4N | 0.9094 |
15 | DN8 | 0.9083 |
16 | MYU | 0.9076 |
17 | 797 | 0.9067 |
18 | 4AJ | 0.9065 |
19 | 3Q2 | 0.9037 |
20 | 3Q1 | 0.9030 |
21 | AX1 | 0.9027 |
22 | 124 | 0.9021 |
23 | 785 | 0.9020 |
24 | 801 | 0.9018 |
25 | 6JP | 0.9016 |
26 | CUE | 0.9000 |
27 | XZ1 | 0.8998 |
28 | 609 | 0.8996 |
29 | 1V8 | 0.8987 |
30 | AO | 0.8962 |
31 | 36K | 0.8959 |
32 | MT6 | 0.8955 |
33 | 907 | 0.8954 |
34 | E8Z | 0.8927 |
35 | X2L | 0.8927 |
36 | MBT | 0.8914 |
37 | SDN | 0.8913 |
38 | OSJ | 0.8905 |
39 | NKH | 0.8904 |
40 | BBP | 0.8894 |
41 | AGI | 0.8890 |
42 | 517 | 0.8880 |
43 | 3DL | 0.8877 |
44 | 338 | 0.8875 |
45 | 6JM | 0.8854 |
46 | HUL | 0.8851 |
47 | Q7U | 0.8847 |
48 | 1UT | 0.8847 |
49 | 1V0 | 0.8844 |
50 | 1UR | 0.8843 |
51 | IYX | 0.8841 |
52 | IRH | 0.8839 |
53 | OSD | 0.8832 |
54 | 7FC | 0.8827 |
55 | 3D9 | 0.8821 |
56 | C9G | 0.8811 |
57 | WTI | 0.8805 |
58 | DX8 | 0.8804 |
59 | 0NJ | 0.8803 |
60 | A64 | 0.8801 |
61 | MRI | 0.8800 |
62 | T21 | 0.8799 |
63 | 6BK | 0.8795 |
64 | KMP | 0.8792 |
65 | 79X | 0.8792 |
66 | END | 0.8790 |
67 | F13 | 0.8789 |
68 | HWB | 0.8774 |
69 | 49J | 0.8767 |
70 | 130 | 0.8766 |
71 | A63 | 0.8765 |
72 | 97K | 0.8765 |
73 | DQH | 0.8764 |
74 | 3TI | 0.8760 |
75 | 3G5 | 0.8758 |
76 | TNC | 0.8757 |
77 | RF2 | 0.8755 |
78 | E98 | 0.8754 |
79 | 2WF | 0.8750 |
80 | 27F | 0.8748 |
81 | 1UZ | 0.8746 |
82 | NAR | 0.8744 |
83 | 122 | 0.8743 |
84 | STR | 0.8741 |
85 | E92 | 0.8733 |
86 | 7G2 | 0.8732 |
87 | EXQ | 0.8730 |
88 | 780 | 0.8725 |
89 | FXE | 0.8716 |
90 | 696 | 0.8715 |
91 | J2W | 0.8715 |
92 | BRY | 0.8714 |
93 | 3WL | 0.8713 |
94 | OSG | 0.8712 |
95 | 0RA | 0.8711 |
96 | NGV | 0.8707 |
97 | 9YD | 0.8703 |
98 | JV5 | 0.8701 |
99 | BMZ | 0.8700 |
100 | 120 | 0.8680 |
101 | 4HG | 0.8680 |
102 | E3U | 0.8680 |
103 | 6WN | 0.8676 |
104 | J8D | 0.8669 |
105 | 29F | 0.8666 |
106 | IXM | 0.8666 |
107 | NOM | 0.8665 |
108 | CR4 | 0.8660 |
109 | 3XL | 0.8654 |
110 | L43 | 0.8652 |
111 | 678 | 0.8644 |
112 | K8W | 0.8642 |
113 | EBB | 0.8640 |
114 | DY9 | 0.8632 |
115 | M16 | 0.8625 |
116 | PLO | 0.8622 |
117 | F08 | 0.8618 |
118 | 4P9 | 0.8611 |
119 | J2Q | 0.8610 |
120 | 1V1 | 0.8606 |
121 | 802 | 0.8603 |
122 | 334 | 0.8588 |
123 | INR | 0.8584 |
124 | V67 | 0.8584 |
125 | 06R | 0.8582 |
126 | 20D | 0.8581 |
127 | 1FJ | 0.8580 |
128 | 0FZ | 0.8578 |
129 | 1R5 | 0.8574 |
130 | F33 | 0.8571 |
131 | 3G6 | 0.8565 |
132 | F36 | 0.8565 |
133 | 3G8 | 0.8564 |
134 | TFX | 0.8563 |
135 | T5J | 0.8562 |
136 | KC5 | 0.8561 |
137 | BIT | 0.8561 |
138 | 4BE | 0.8547 |
139 | 08C | 0.8543 |
140 | 196 | 0.8537 |
141 | MKU | 0.8532 |
142 | 6F3 | 0.8531 |
143 | 6WV | 0.8529 |
144 | A73 | 0.8523 |
145 | 1VG | 0.8512 |
146 | J45 | 0.8505 |
147 | EQU | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 1jq9.bio4) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |