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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 35 families. | |||||
1 | 1CM0 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
2 | 1QSR | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
3 | 5H84 | - | 1VU | C24 H40 N7 O17 P3 S | CCC(=O)SCC.... |
4 | 1Z4R | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
5 | 5TRL | - | SCA | C25 H40 N7 O19 P3 S | CC(C)(CO[P.... |
6 | 5H86 | Ki = 5.6 uM | BCO | C25 H42 N7 O17 P3 S | CCCC(=O)SC.... |
7 | 4NSQ | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 25 families. | |||||
1 | 1CM0 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
2 | 1QSR | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
3 | 5H84 | - | 1VU | C24 H40 N7 O17 P3 S | CCC(=O)SCC.... |
4 | 1Z4R | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
5 | 5TRL | - | SCA | C25 H40 N7 O19 P3 S | CC(C)(CO[P.... |
6 | 5H86 | Ki = 5.6 uM | BCO | C25 H42 N7 O17 P3 S | CCCC(=O)SC.... |
7 | 4NSQ | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BCO | 1 | 1 |
2 | 1HE | 0.904 | 0.955556 |
3 | 1VU | 0.903226 | 0.988636 |
4 | HXC | 0.898438 | 0.977528 |
5 | SCA | 0.889764 | 0.977273 |
6 | 3HC | 0.888889 | 0.988506 |
7 | IVC | 0.888889 | 0.988506 |
8 | CO8 | 0.884615 | 0.977528 |
9 | UCC | 0.877863 | 0.977528 |
10 | ST9 | 0.877863 | 0.977528 |
11 | 5F9 | 0.877863 | 0.977528 |
12 | MFK | 0.877863 | 0.977528 |
13 | MYA | 0.877863 | 0.977528 |
14 | DCC | 0.877863 | 0.977528 |
15 | MLC | 0.874016 | 0.977273 |
16 | ACO | 0.870968 | 0.966292 |
17 | GRA | 0.869231 | 0.977273 |
18 | HGG | 0.868217 | 0.977273 |
19 | CAA | 0.867188 | 0.988506 |
20 | 3KK | 0.857143 | 0.977273 |
21 | CAO | 0.854839 | 0.944444 |
22 | COS | 0.854839 | 0.955056 |
23 | 2MC | 0.851562 | 0.934783 |
24 | OXK | 0.850394 | 0.977273 |
25 | FAQ | 0.847328 | 0.977273 |
26 | 0T1 | 0.845528 | 0.977012 |
27 | CO6 | 0.84375 | 0.977273 |
28 | MCA | 0.838462 | 0.966292 |
29 | CS8 | 0.837037 | 0.966667 |
30 | TGC | 0.834586 | 0.966292 |
31 | YXS | 0.832061 | 0.886598 |
32 | YXR | 0.832061 | 0.886598 |
33 | HDC | 0.830882 | 0.977528 |
34 | DCA | 0.829268 | 0.954545 |
35 | FYN | 0.828125 | 0.977012 |
36 | COW | 0.825758 | 0.966292 |
37 | COO | 0.824427 | 0.977273 |
38 | COK | 0.821705 | 0.955056 |
39 | SOP | 0.821705 | 0.955056 |
40 | YNC | 0.818841 | 0.966292 |
41 | MC4 | 0.818182 | 0.924731 |
42 | COA | 0.816 | 0.977012 |
43 | CMC | 0.815385 | 0.955056 |
44 | BYC | 0.81203 | 0.977273 |
45 | IRC | 0.81203 | 0.988506 |
46 | 1GZ | 0.81203 | 0.966292 |
47 | KFV | 0.81203 | 0.895833 |
48 | 30N | 0.811024 | 0.894737 |
49 | BCA | 0.80597 | 0.966292 |
50 | A1S | 0.80303 | 0.955056 |
51 | ETB | 0.8 | 0.9 |
52 | COF | 0.798507 | 0.934066 |
53 | AMX | 0.796875 | 0.965517 |
54 | 2CP | 0.791045 | 0.944444 |
55 | CMX | 0.790698 | 0.954545 |
56 | SCO | 0.790698 | 0.954545 |
57 | 2NE | 0.788321 | 0.955556 |
58 | 1CZ | 0.788321 | 0.966292 |
59 | 8Z2 | 0.787234 | 0.966667 |
60 | MRS | 0.785714 | 0.977528 |
61 | MRR | 0.785714 | 0.977528 |
62 | 3CP | 0.785185 | 0.955056 |
63 | 2KQ | 0.785185 | 0.955556 |
64 | FCX | 0.784615 | 0.923077 |
65 | FAM | 0.784615 | 0.933333 |
66 | CAJ | 0.781955 | 0.955056 |
67 | KGP | 0.780303 | 0.886598 |
68 | YZS | 0.780303 | 0.886598 |
69 | 4CA | 0.779412 | 0.944444 |
70 | HAX | 0.778626 | 0.933333 |
71 | 0ET | 0.776978 | 0.955556 |
72 | WCA | 0.771429 | 0.955556 |
73 | SCD | 0.768657 | 0.954545 |
74 | CA6 | 0.766917 | 0.867347 |
75 | MCD | 0.766917 | 0.933333 |
76 | NHM | 0.765957 | 0.955556 |
77 | 4KX | 0.765957 | 0.945055 |
78 | UOQ | 0.765957 | 0.955556 |
79 | NHW | 0.765957 | 0.955556 |
80 | CIC | 0.76259 | 0.955056 |
81 | CCQ | 0.76259 | 0.934783 |
82 | NMX | 0.761194 | 0.884211 |
83 | SO5 | 0.757353 | 0.877551 |
84 | LCV | 0.757353 | 0.877551 |
85 | BUA COA | 0.757353 | 0.965909 |
86 | 0FQ | 0.757143 | 0.955056 |
87 | 4CO | 0.757143 | 0.944444 |
88 | DAK | 0.755245 | 0.945055 |
89 | J5H | 0.755245 | 0.977273 |
90 | 01A | 0.751773 | 0.913979 |
91 | KGJ | 0.75 | 0.875 |
92 | HFQ | 0.748252 | 0.934066 |
93 | 1CV | 0.746479 | 0.977273 |
94 | KGA | 0.746377 | 0.865979 |
95 | YE1 | 0.744526 | 0.94382 |
96 | UCA | 0.738562 | 0.955556 |
97 | S0N | 0.737589 | 0.933333 |
98 | CA8 | 0.733813 | 0.886598 |
99 | 1HA | 0.72973 | 0.955556 |
100 | NHQ | 0.727891 | 0.965909 |
101 | F8G | 0.72 | 0.914894 |
102 | COT | 0.72 | 0.955056 |
103 | 01K | 0.713333 | 0.955056 |
104 | 7L1 | 0.711111 | 0.966292 |
105 | CA3 | 0.699346 | 0.955056 |
106 | CA5 | 0.687898 | 0.913979 |
107 | CO7 | 0.683099 | 0.977273 |
108 | 6NA COA | 0.682759 | 0.944444 |
109 | RMW | 0.677215 | 0.955556 |
110 | EO3 COA | 0.668919 | 0.944444 |
111 | PLM COA | 0.668919 | 0.944444 |
112 | MYR COA | 0.668919 | 0.944444 |
113 | DAO COA | 0.668919 | 0.944444 |
114 | DCR COA | 0.668919 | 0.944444 |
115 | X90 COA | 0.668919 | 0.944444 |
116 | DKA COA | 0.668919 | 0.944444 |
117 | 93P | 0.6625 | 0.944444 |
118 | COD | 0.661654 | 0.965517 |
119 | N9V | 0.655405 | 0.944444 |
120 | 93M | 0.652439 | 0.944444 |
121 | 5TW | 0.643275 | 0.914894 |
122 | 4BN | 0.643275 | 0.914894 |
123 | HMG | 0.633333 | 0.94382 |
124 | OXT | 0.612717 | 0.914894 |
125 | JBT | 0.606742 | 0.895833 |
126 | COA FLC | 0.605634 | 0.943182 |
127 | BSJ | 0.573864 | 0.923913 |
128 | ASP ASP ASP ILE NH2 CMC | 0.556213 | 0.933333 |
129 | PAP | 0.54918 | 0.793103 |
130 | RFC | 0.521212 | 0.955556 |
131 | SFC | 0.521212 | 0.955556 |
132 | PPS | 0.511811 | 0.736842 |
133 | MET VAL ASN ALA CMC | 0.5 | 0.912088 |
134 | A3P | 0.5 | 0.781609 |
135 | ACE SER ASP ALY THR NH2 COA | 0.494624 | 0.912088 |
136 | 0WD | 0.493243 | 0.771739 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.467005 | 0.912088 |
138 | PSR | 0.463415 | 0.689655 |
139 | 5AD NJS | 0.463277 | 0.913979 |
140 | PTJ | 0.442857 | 0.852273 |
141 | PUA | 0.43949 | 0.802198 |
142 | 3AM | 0.439024 | 0.770115 |
143 | A22 | 0.430657 | 0.795455 |
144 | 9BG | 0.428571 | 0.771739 |
145 | A2D | 0.425197 | 0.784091 |
146 | PAJ | 0.42446 | 0.863636 |
147 | YLB | 0.423841 | 0.909091 |
148 | HQG | 0.423358 | 0.795455 |
149 | 3OD | 0.422535 | 0.806818 |
150 | MDE | 0.42246 | 0.956044 |
151 | AGS | 0.421053 | 0.808989 |
152 | ATR | 0.421053 | 0.781609 |
153 | UBG | 0.41954 | 0.826087 |
154 | NA7 | 0.41844 | 0.83908 |
155 | ADP | 0.415385 | 0.804598 |
156 | A2R | 0.413043 | 0.795455 |
157 | 8LE | 0.411765 | 0.829545 |
158 | OAD | 0.408451 | 0.806818 |
159 | BA3 | 0.407692 | 0.784091 |
160 | ATP | 0.406015 | 0.804598 |
161 | HEJ | 0.406015 | 0.804598 |
162 | B4P | 0.40458 | 0.784091 |
163 | AP5 | 0.40458 | 0.784091 |
164 | ADQ | 0.404255 | 0.786517 |
165 | 48N | 0.403974 | 0.791209 |
166 | YLP | 0.403974 | 0.88764 |
167 | APR | 0.402985 | 0.784091 |
168 | AQP | 0.402985 | 0.804598 |
169 | 2A5 | 0.402985 | 0.827586 |
170 | 5FA | 0.402985 | 0.804598 |
171 | AR6 | 0.402985 | 0.784091 |
172 | ME8 | 0.402778 | 0.824176 |
173 | 1ZZ | 0.402778 | 0.844444 |
174 | APU | 0.402597 | 0.769231 |
175 | AN2 | 0.401515 | 0.795455 |
176 | JNT | 0.401408 | 0.827586 |
177 | 8LQ | 0.4 | 0.818182 |
178 | QA7 | 0.4 | 0.829545 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5h86.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5FVJ | ACO | 7.22892 |