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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 1 families. | |||||
1 | 1GXS | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
2 | 1BCR | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
3 | 1BCS | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
4 | 1WHT | Ki = 0.2 mM | BZS | C11 H12 O4 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1GXS | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
2 | 1BCR | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
3 | 1BCS | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
4 | 1WHT | Ki = 0.2 mM | BZS | C11 H12 O4 | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 23N | 0.9826 |
2 | ING | 0.9700 |
3 | CPM | 0.9540 |
4 | CXA | 0.9452 |
5 | ACE PHE | 0.9376 |
6 | LHY | 0.9372 |
7 | 7QD | 0.9345 |
8 | 3NF | 0.9309 |
9 | AVJ | 0.9308 |
10 | 7ZL | 0.9287 |
11 | C53 | 0.9269 |
12 | ALA PHE | 0.9248 |
13 | DY8 | 0.9236 |
14 | AVO | 0.9231 |
15 | GLY TYR | 0.9227 |
16 | JGM | 0.9210 |
17 | 2B4 | 0.9196 |
18 | RIS | 0.9185 |
19 | TZM | 0.9155 |
20 | AVI | 0.9148 |
21 | 848 | 0.9067 |
22 | 1BY | 0.9048 |
23 | INF | 0.9046 |
24 | 7UZ | 0.9037 |
25 | GLY PHE | 0.9029 |
26 | NI9 | 0.9015 |
27 | 3CR | 0.9015 |
28 | ZOL | 0.9014 |
29 | GTC | 0.9013 |
30 | T2D | 0.8993 |
31 | MJ5 | 0.8992 |
32 | FPL | 0.8990 |
33 | BZM | 0.8982 |
34 | NLG | 0.8979 |
35 | 9W5 | 0.8971 |
36 | 2E5 | 0.8970 |
37 | L69 | 0.8962 |
38 | 0OP | 0.8961 |
39 | CH8 | 0.8940 |
40 | IC9 | 0.8934 |
41 | SLY | 0.8933 |
42 | HCA | 0.8933 |
43 | 0OO | 0.8930 |
44 | AOZ | 0.8929 |
45 | EXG | 0.8919 |
46 | 3IP | 0.8917 |
47 | ID8 | 0.8908 |
48 | B2Y | 0.8906 |
49 | 0A9 | 0.8903 |
50 | 3B4 | 0.8896 |
51 | TRP | 0.8895 |
52 | 5DL | 0.8894 |
53 | TRC | 0.8894 |
54 | Q06 | 0.8894 |
55 | NZ2 | 0.8892 |
56 | HLP | 0.8889 |
57 | C6J | 0.8886 |
58 | JJQ | 0.8880 |
59 | 1PS | 0.8879 |
60 | F16 | 0.8869 |
61 | 3GV | 0.8868 |
62 | DHZ | 0.8867 |
63 | OSB | 0.8867 |
64 | 5E4 | 0.8843 |
65 | BPS | 0.8836 |
66 | E9P | 0.8830 |
67 | KPV | 0.8828 |
68 | PHE | 0.8812 |
69 | 61O | 0.8810 |
70 | TH4 | 0.8798 |
71 | VAL VAL | 0.8797 |
72 | LL2 | 0.8784 |
73 | 9B3 | 0.8778 |
74 | LVP | 0.8777 |
75 | 3YQ | 0.8773 |
76 | CLT | 0.8770 |
77 | 2LX | 0.8761 |
78 | D1G | 0.8759 |
79 | R9J | 0.8758 |
80 | TYR | 0.8756 |
81 | PA5 | 0.8753 |
82 | VJJ | 0.8753 |
83 | MS8 | 0.8752 |
84 | 7Q1 | 0.8745 |
85 | PIR | 0.8745 |
86 | QUS | 0.8743 |
87 | 9VQ | 0.8739 |
88 | CIT | 0.8734 |
89 | EBP | 0.8732 |
90 | G88 | 0.8727 |
91 | BDJ | 0.8724 |
92 | ENO | 0.8723 |
93 | 7VY | 0.8722 |
94 | HHV | 0.8717 |
95 | DTR | 0.8717 |
96 | DG2 | 0.8715 |
97 | PF1 | 0.8715 |
98 | IPO | 0.8713 |
99 | 87L | 0.8712 |
100 | NQM | 0.8712 |
101 | CBQ | 0.8710 |
102 | RLG | 0.8710 |
103 | SQP | 0.8709 |
104 | 7QS | 0.8706 |
105 | R9V | 0.8693 |
106 | HWD | 0.8690 |
107 | DCZ | 0.8687 |
108 | N1Y | 0.8687 |
109 | 6C5 | 0.8681 |
110 | PTU | 0.8680 |
111 | TIA | 0.8680 |
112 | PW1 | 0.8678 |
113 | PPY | 0.8676 |
114 | D2G | 0.8669 |
115 | CU0 | 0.8669 |
116 | 8OB | 0.8667 |
117 | DE3 | 0.8665 |
118 | 8OE | 0.8664 |
119 | C6Z | 0.8657 |
120 | OIA | 0.8655 |
121 | DNB | 0.8654 |
122 | JA3 | 0.8651 |
123 | XI7 | 0.8649 |
124 | BSA | 0.8644 |
125 | FLC | 0.8638 |
126 | SX2 | 0.8634 |
127 | S7A | 0.8634 |
128 | DPN | 0.8630 |
129 | PRE | 0.8628 |
130 | GNW | 0.8621 |
131 | HX8 | 0.8619 |
132 | 6FR | 0.8619 |
133 | JGB | 0.8618 |
134 | RK4 | 0.8618 |
135 | 2ED | 0.8616 |
136 | AKD | 0.8613 |
137 | ICT | 0.8612 |
138 | KYN | 0.8607 |
139 | EVO | 0.8606 |
140 | DCN | 0.8596 |
141 | GLY NIY | 0.8594 |
142 | TOH | 0.8591 |
143 | 5XW | 0.8589 |
144 | AJD | 0.8573 |
145 | 8V0 | 0.8560 |
146 | NK5 | 0.8554 |
147 | ISC | 0.8549 |
148 | HJH | 0.8546 |
149 | OA1 | 0.8544 |
150 | A6H | 0.8543 |
151 | TCL | 0.8542 |
152 | 3QO | 0.8526 |
153 | CHQ | 0.8517 |
154 | SB7 | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 1wht.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1wht.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1wht.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |