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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 2 families. | |||||
1 | 2R1K | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
2 | 1EZ2 | - | DII | C7 H17 O3 P | CC(C)OP(=O.... |
3 | 1JGM | - | PEL | C8 H10 O | c1ccc(cc1).... |
4 | 2D2H | - | TZZ | C3 H9 O4 P | COP(=O)(OC.... |
5 | 3C86 | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
6 | 1EYW | - | TEN | C6 H15 O4 P | CCOP(=O)(O.... |
7 | 3OOD | - | EPL | C11 H17 O5 P | CCOP(=O)(O.... |
8 | 3E3H | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
9 | 3URQ | - | QMP | C7 H15 O3 P | CP(=O)(O)O.... |
10 | 3A3W | - | EPL | C11 H17 O5 P | CCOP(=O)(O.... |
11 | 1I0B | - | PEL | C8 H10 O | c1ccc(cc1).... |
12 | 1HZY | - | PEL | C8 H10 O | c1ccc(cc1).... |
13 | 3CAK | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
14 | 1DPM | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
15 | 2R1P | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
16 | 1P6C | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
17 | 1I0D | - | PEL | C8 H10 O | c1ccc(cc1).... |
18 | 3UR5 | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
19 | 2R1M | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
20 | 2D2G | - | DZZ | C2 H7 O3 P S | COP(=S)(O).... |
21 | 1QW7 | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
22 | 2R1N | - | EPL | C11 H17 O5 P | CCOP(=O)(O.... |
23 | 2R1L | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
24 | 4NP7 | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
25 | 1PSC | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
26 | 1P6B | - | EFS | C2 H7 O4 P | CCOP(=O)(O.... |
27 | 3URB | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
28 | 3URN | - | QMP | C7 H15 O3 P | CP(=O)(O)O.... |
29 | 4E3T | - | HLN | C16 H21 O3 P | CCCCCCP(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2R1K | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
2 | 1EZ2 | - | DII | C7 H17 O3 P | CC(C)OP(=O.... |
3 | 1JGM | - | PEL | C8 H10 O | c1ccc(cc1).... |
4 | 2D2H | - | TZZ | C3 H9 O4 P | COP(=O)(OC.... |
5 | 3C86 | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
6 | 1EYW | - | TEN | C6 H15 O4 P | CCOP(=O)(O.... |
7 | 3OOD | - | EPL | C11 H17 O5 P | CCOP(=O)(O.... |
8 | 3E3H | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
9 | 3URQ | - | QMP | C7 H15 O3 P | CP(=O)(O)O.... |
10 | 3A3W | - | EPL | C11 H17 O5 P | CCOP(=O)(O.... |
11 | 1I0B | - | PEL | C8 H10 O | c1ccc(cc1).... |
12 | 1HZY | - | PEL | C8 H10 O | c1ccc(cc1).... |
13 | 3CAK | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
14 | 1DPM | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
15 | 2R1P | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
16 | 1P6C | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
17 | 1I0D | - | PEL | C8 H10 O | c1ccc(cc1).... |
18 | 3UR5 | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
19 | 2R1M | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
20 | 2D2G | - | DZZ | C2 H7 O3 P S | COP(=S)(O).... |
21 | 1QW7 | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
22 | 2R1N | - | EPL | C11 H17 O5 P | CCOP(=O)(O.... |
23 | 2R1L | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
24 | 4NP7 | - | DPJ | C4 H11 O3 P S | CCOP(=S)(O.... |
25 | 1PSC | - | EBP | C12 H19 O3 P | CCOP(=O)(C.... |
26 | 1P6B | - | EFS | C2 H7 O4 P | CCOP(=O)(O.... |
27 | 3URB | - | DPF | C4 H11 O4 P | CCOP(=O)(O.... |
28 | 3URN | - | QMP | C7 H15 O3 P | CP(=O)(O)O.... |
29 | 4RDZ | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
30 | 4E3T | - | HLN | C16 H21 O3 P | CCCCCCP(=O.... |
31 | 4H9X | - | HL4 | C8 H13 N O3 | CCCC(=O)N[.... |
32 | 6JST | - | LAE | C12 H19 N O4 | CCCCCC(=O).... |
33 | 4H9T | - | HL4 | C8 H13 N O3 | CCCC(=O)N[.... |
34 | 4KF1 | - | HT5 | C14 H25 N O2 S | CCCCCCCCCC.... |
35 | 2VC7 | Ki = 432.7 uM | HT5 | C14 H25 N O2 S | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EBP | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IC9 | 0.9143 |
2 | BTM | 0.9031 |
3 | TH4 | 0.8996 |
4 | PF1 | 0.8957 |
5 | JGM | 0.8951 |
6 | 3NF | 0.8872 |
7 | LDC | 0.8802 |
8 | DUR | 0.8791 |
9 | GLY TYR | 0.8787 |
10 | PIR | 0.8768 |
11 | 2B4 | 0.8762 |
12 | URI | 0.8755 |
13 | ING | 0.8748 |
14 | 23N | 0.8748 |
15 | BZS | 0.8732 |
16 | HO6 | 0.8726 |
17 | IM4 | 0.8706 |
18 | DCZ | 0.8703 |
19 | 9B3 | 0.8684 |
20 | TYU | 0.8681 |
21 | IPO | 0.8667 |
22 | 2TU | 0.8666 |
23 | ZZI | 0.8656 |
24 | N1Y | 0.8650 |
25 | THU | 0.8641 |
26 | RQD | 0.8639 |
27 | ACE PHE | 0.8632 |
28 | 0A9 | 0.8613 |
29 | TYE | 0.8579 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | COM | 1.0000 |
2 | CHT | 0.9982 |
3 | TAU | 0.9944 |
4 | ETM | 0.9915 |
5 | P7I | 0.9912 |
6 | XPO | 0.9902 |
7 | 8X3 | 0.9859 |
8 | FJO | 0.9847 |
9 | 2HE | 0.9830 |
10 | POA | 0.9830 |
11 | 9SB | 0.9799 |
12 | CP | 0.9581 |
13 | CNH | 0.9572 |
14 | BTL | 0.9570 |
15 | TB0 | 0.9562 |
16 | TB6 | 0.9523 |
17 | A20 | 0.9442 |
18 | TAN | 0.9437 |
19 | PCT | 0.9436 |
20 | S0H | 0.9436 |
21 | PAE | 0.9405 |
22 | FW5 | 0.9403 |
23 | MPD | 0.9402 |
24 | VSO | 0.9373 |
25 | BAL | 0.9345 |
26 | 7VD | 0.9340 |
27 | BMD | 0.9337 |
28 | SAT | 0.9332 |
29 | BU4 | 0.9316 |
30 | SGL | 0.9291 |
31 | MMQ | 0.9274 |
32 | BAE | 0.9259 |
33 | 1SP | 0.9240 |
34 | ODV | 0.9231 |
35 | ETF | 0.9204 |
36 | BUQ | 0.9178 |
37 | BUA | 0.9172 |
38 | HSW | 0.9162 |
39 | MTG | 0.9158 |
40 | EGD | 0.9149 |
41 | HV2 | 0.9145 |
42 | MLI | 0.9141 |
43 | HSE | 0.9132 |
44 | SLP | 0.9127 |
45 | 3HR | 0.9126 |
46 | MSF | 0.9122 |
47 | DSS | 0.9116 |
48 | SSN | 0.9109 |
49 | AOA | 0.9106 |
50 | DTL | 0.9099 |
51 | LER | 0.9096 |
52 | NVA | 0.9094 |
53 | PUT | 0.9088 |
54 | PRI | 0.9081 |
55 | PPF | 0.9078 |
56 | MLA | 0.9078 |
57 | IVA | 0.9077 |
58 | MRY | 0.9058 |
59 | SMB | 0.9051 |
60 | A3B | 0.9033 |
61 | ETX | 0.9031 |
62 | SAR | 0.9030 |
63 | DBB | 0.9022 |
64 | BXO | 0.9020 |
65 | 3HL | 0.9015 |
66 | MAE | 0.9013 |
67 | MLM | 0.9011 |
68 | 3BB | 0.9000 |
69 | CYS | 0.8994 |
70 | BUB | 0.8992 |
71 | SIN | 0.8991 |
72 | FCN | 0.8990 |
73 | LEA | 0.8987 |
74 | SER | 0.8984 |
75 | HCS | 0.8983 |
76 | DE2 | 0.8972 |
77 | LLQ | 0.8969 |
78 | 2RA | 0.8951 |
79 | DSN | 0.8951 |
80 | ABU | 0.8949 |
81 | PPV | 0.8947 |
82 | POP | 0.8947 |
83 | TAY | 0.8946 |
84 | XAP | 0.8944 |
85 | AAE | 0.8944 |
86 | ASN | 0.8934 |
87 | ASP | 0.8928 |
88 | C5J | 0.8927 |
89 | ITU | 0.8922 |
90 | HX2 | 0.8919 |
91 | BVC | 0.8914 |
92 | 9YL | 0.8913 |
93 | BVG | 0.8911 |
94 | NVI | 0.8907 |
95 | C2N | 0.8907 |
96 | 39J | 0.8906 |
97 | 4HA | 0.8906 |
98 | 8FH | 0.8899 |
99 | PRO | 0.8896 |
100 | DMG | 0.8893 |
101 | PE9 | 0.8892 |
102 | 2KT | 0.8891 |
103 | 3PY | 0.8889 |
104 | HIU | 0.8885 |
105 | GOL | 0.8880 |
106 | GXV | 0.8880 |
107 | P2D | 0.8877 |
108 | PAH | 0.8873 |
109 | IHG | 0.8869 |
110 | CIZ | 0.8860 |
111 | AHR | 0.8856 |
112 | GG6 | 0.8853 |
113 | 2PN | 0.8836 |
114 | 03W | 0.8834 |
115 | DGY | 0.8834 |
116 | 1SH | 0.8826 |
117 | MZ0 | 0.8824 |
118 | 3GR | 0.8820 |
119 | 1DQ | 0.8813 |
120 | HVQ | 0.8811 |
121 | DTU | 0.8811 |
122 | ORN | 0.8797 |
123 | DXX | 0.8793 |
124 | AML | 0.8782 |
125 | 2EZ | 0.8782 |
126 | AKB | 0.8782 |
127 | DZZ | 0.8780 |
128 | PIS | 0.8780 |
129 | MET | 0.8780 |
130 | KG7 | 0.8774 |
131 | TZZ | 0.8766 |
132 | PXO | 0.8760 |
133 | ABA | 0.8760 |
134 | NCM | 0.8755 |
135 | MTD | 0.8753 |
136 | LEU | 0.8748 |
137 | DCL | 0.8746 |
138 | FLA | 0.8739 |
139 | IPU | 0.8733 |
140 | X1S | 0.8730 |
141 | VAL | 0.8726 |
142 | HSM | 0.8721 |
143 | MLT | 0.8720 |
144 | CSS | 0.8702 |
145 | THR | 0.8699 |
146 | NMG | 0.8692 |
147 | 3PP | 0.8684 |
148 | 1AC | 0.8680 |
149 | 23W | 0.8680 |
150 | GLY | 0.8679 |
151 | 4MV | 0.8668 |
152 | DAS | 0.8667 |
153 | PPI | 0.8662 |
154 | AKR | 0.8658 |
155 | FPI | 0.8657 |
156 | A8C | 0.8657 |
157 | MDN | 0.8654 |
158 | 1BP | 0.8651 |
159 | TFS | 0.8648 |
160 | 2PC | 0.8647 |
161 | LMR | 0.8636 |
162 | HDA | 0.8630 |
163 | CRD | 0.8618 |
164 | 9A4 | 0.8617 |
165 | TFB | 0.8613 |
166 | FUM | 0.8613 |
167 | ILE | 0.8610 |
168 | OHG | 0.8608 |
169 | 9A7 | 0.8608 |
170 | 98J | 0.8602 |
171 | THE | 0.8596 |
172 | COI | 0.8593 |
173 | HLT | 0.8588 |
174 | 3SS | 0.8587 |
175 | GOA | 0.8585 |
176 | ICN | 0.8571 |
177 | HPY | 0.8566 |
178 | FAH | 0.8564 |
179 | 3CL | 0.8561 |
180 | PYZ | 0.8547 |
181 | GLV | 0.8545 |
182 | ABN | 0.8526 |
183 | NMU | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 1psc.bio1) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1psc.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |