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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3PW1 | - | FAQ | C29 H42 N7 O17 P3 S | CC(C)(CO[P.... |
2 | 3PVR | - | BYC | C28 H40 N7 O17 P3 S | CC(C)(CO[P.... |
3 | 3PVT | - | 3HC | C25 H42 N7 O18 P3 S | CC(CC(=O)S.... |
4 | 3PVY | - | 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 5 families. | |||||
1 | 3PW1 | - | FAQ | C29 H42 N7 O17 P3 S | CC(C)(CO[P.... |
2 | 3PVR | - | BYC | C28 H40 N7 O17 P3 S | CC(C)(CO[P.... |
3 | 3PVT | - | 3HC | C25 H42 N7 O18 P3 S | CC(CC(=O)S.... |
4 | 3PVY | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3HC | 1 | 1 |
2 | IVC | 0.919355 | 1 |
3 | 1VU | 0.903226 | 0.977273 |
4 | BCO | 0.888889 | 0.988506 |
5 | HGG | 0.882812 | 0.988506 |
6 | 1HE | 0.874016 | 0.966292 |
7 | MLC | 0.874016 | 0.988506 |
8 | ACO | 0.870968 | 0.977273 |
9 | CAA | 0.867188 | 1 |
10 | SCA | 0.860465 | 0.988506 |
11 | CO6 | 0.858268 | 0.988506 |
12 | 3KK | 0.857143 | 0.988506 |
13 | HXC | 0.854962 | 0.966292 |
14 | COS | 0.854839 | 0.965909 |
15 | CAO | 0.854839 | 0.955056 |
16 | OXK | 0.850394 | 0.988506 |
17 | FAQ | 0.847328 | 0.988506 |
18 | YXS | 0.846154 | 0.895833 |
19 | YXR | 0.846154 | 0.895833 |
20 | CO8 | 0.842105 | 0.966292 |
21 | GRA | 0.840909 | 0.988506 |
22 | MCA | 0.838462 | 0.977273 |
23 | 2MC | 0.837209 | 0.945055 |
24 | DCC | 0.835821 | 0.966292 |
25 | MFK | 0.835821 | 0.966292 |
26 | ST9 | 0.835821 | 0.966292 |
27 | MYA | 0.835821 | 0.966292 |
28 | 5F9 | 0.835821 | 0.966292 |
29 | UCC | 0.835821 | 0.966292 |
30 | TGC | 0.834586 | 0.977273 |
31 | HDC | 0.830882 | 0.966292 |
32 | 0T1 | 0.830645 | 0.965517 |
33 | DCA | 0.829268 | 0.943182 |
34 | FYN | 0.828125 | 0.988372 |
35 | IRC | 0.825758 | 1 |
36 | 1GZ | 0.825758 | 0.977273 |
37 | COO | 0.824427 | 0.988506 |
38 | CS8 | 0.823529 | 0.955556 |
39 | COK | 0.821705 | 0.965909 |
40 | SOP | 0.821705 | 0.965909 |
41 | MC4 | 0.818182 | 0.934783 |
42 | A1S | 0.816794 | 0.965909 |
43 | COA | 0.816 | 0.988372 |
44 | CMC | 0.815385 | 0.965909 |
45 | BYC | 0.81203 | 0.988506 |
46 | COW | 0.81203 | 0.977273 |
47 | KFV | 0.81203 | 0.905263 |
48 | 30N | 0.811024 | 0.904255 |
49 | BCA | 0.80597 | 0.977273 |
50 | 2CP | 0.804511 | 0.955056 |
51 | ETB | 0.8 | 0.910112 |
52 | AMX | 0.796875 | 0.976744 |
53 | KGP | 0.793893 | 0.895833 |
54 | YZS | 0.793893 | 0.895833 |
55 | YNC | 0.792857 | 0.977273 |
56 | CMX | 0.790698 | 0.965517 |
57 | SCO | 0.790698 | 0.965517 |
58 | 2NE | 0.788321 | 0.966292 |
59 | 1CZ | 0.788321 | 0.977273 |
60 | MRS | 0.785714 | 0.966292 |
61 | MRR | 0.785714 | 0.966292 |
62 | COF | 0.785185 | 0.944444 |
63 | 2KQ | 0.785185 | 0.966292 |
64 | 3CP | 0.785185 | 0.965909 |
65 | FCX | 0.784615 | 0.933333 |
66 | FAM | 0.784615 | 0.94382 |
67 | CAJ | 0.781955 | 0.94382 |
68 | MCD | 0.780303 | 0.94382 |
69 | 4CA | 0.779412 | 0.955056 |
70 | HAX | 0.778626 | 0.94382 |
71 | CCQ | 0.775362 | 0.945055 |
72 | WCA | 0.771429 | 0.966292 |
73 | LCV | 0.77037 | 0.886598 |
74 | SO5 | 0.77037 | 0.886598 |
75 | SCD | 0.768657 | 0.965517 |
76 | CA6 | 0.766917 | 0.876289 |
77 | 4KX | 0.765957 | 0.955556 |
78 | 0ET | 0.764286 | 0.944444 |
79 | CIC | 0.76259 | 0.965909 |
80 | 8Z2 | 0.762238 | 0.955556 |
81 | NMX | 0.761194 | 0.893617 |
82 | 4CO | 0.757143 | 0.955056 |
83 | 0FQ | 0.757143 | 0.965909 |
84 | J5H | 0.755245 | 0.988506 |
85 | DAK | 0.755245 | 0.955556 |
86 | NHM | 0.753521 | 0.944444 |
87 | UOQ | 0.753521 | 0.944444 |
88 | NHW | 0.753521 | 0.944444 |
89 | 01A | 0.751773 | 0.923913 |
90 | KGJ | 0.75 | 0.884211 |
91 | 1CV | 0.746479 | 0.988506 |
92 | YE1 | 0.744526 | 0.954545 |
93 | HFQ | 0.736111 | 0.944444 |
94 | CA8 | 0.733813 | 0.895833 |
95 | KGA | 0.733813 | 0.875 |
96 | 1HA | 0.72973 | 0.966292 |
97 | NHQ | 0.727891 | 0.977012 |
98 | 01K | 0.724832 | 0.965909 |
99 | F8G | 0.72 | 0.924731 |
100 | UCA | 0.716129 | 0.966292 |
101 | S0N | 0.713287 | 0.94382 |
102 | 7L1 | 0.711111 | 0.977273 |
103 | COT | 0.708609 | 0.965909 |
104 | CA3 | 0.688312 | 0.965909 |
105 | CO7 | 0.683099 | 0.988506 |
106 | CA5 | 0.677215 | 0.923913 |
107 | BUA COA | 0.671329 | 0.954545 |
108 | RMW | 0.666667 | 0.966292 |
109 | 93P | 0.6625 | 0.955056 |
110 | COD | 0.661654 | 0.976744 |
111 | N9V | 0.655405 | 0.933333 |
112 | 93M | 0.652439 | 0.955056 |
113 | 6NA COA | 0.648649 | 0.933333 |
114 | HMG | 0.644295 | 0.954545 |
115 | DAO COA | 0.635762 | 0.933333 |
116 | PLM COA | 0.635762 | 0.933333 |
117 | DKA COA | 0.635762 | 0.933333 |
118 | MYR COA | 0.635762 | 0.933333 |
119 | X90 COA | 0.635762 | 0.933333 |
120 | EO3 COA | 0.635762 | 0.933333 |
121 | DCR COA | 0.635762 | 0.933333 |
122 | 4BN | 0.633721 | 0.924731 |
123 | 5TW | 0.633721 | 0.924731 |
124 | OXT | 0.612717 | 0.924731 |
125 | JBT | 0.606742 | 0.905263 |
126 | COA FLC | 0.605634 | 0.954023 |
127 | ASP ASP ASP ILE NH2 CMC | 0.57485 | 0.922222 |
128 | BSJ | 0.573864 | 0.934066 |
129 | PAP | 0.54918 | 0.802326 |
130 | SFC | 0.521212 | 0.966292 |
131 | RFC | 0.521212 | 0.966292 |
132 | MET VAL ASN ALA CMC | 0.516484 | 0.922222 |
133 | PPS | 0.511811 | 0.744681 |
134 | ACE SER ASP ALY THR NH2 COA | 0.51087 | 0.922222 |
135 | A3P | 0.5 | 0.790698 |
136 | 0WD | 0.493243 | 0.78022 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.47449 | 0.922222 |
138 | 5AD NJS | 0.463277 | 0.923913 |
139 | PTJ | 0.442857 | 0.862069 |
140 | 8LQ | 0.441176 | 0.827586 |
141 | PUA | 0.43949 | 0.811111 |
142 | 3AM | 0.439024 | 0.77907 |
143 | A22 | 0.430657 | 0.804598 |
144 | A2D | 0.425197 | 0.793103 |
145 | PAJ | 0.42446 | 0.873563 |
146 | HQG | 0.423358 | 0.804598 |
147 | 3OD | 0.422535 | 0.816092 |
148 | AGS | 0.421053 | 0.818182 |
149 | ATR | 0.421053 | 0.790698 |
150 | QA7 | 0.42029 | 0.83908 |
151 | UBG | 0.41954 | 0.835165 |
152 | 9BG | 0.419355 | 0.78022 |
153 | ADP | 0.415385 | 0.813953 |
154 | 48N | 0.413333 | 0.8 |
155 | A2R | 0.413043 | 0.804598 |
156 | 8LE | 0.411765 | 0.83908 |
157 | M33 | 0.409091 | 0.804598 |
158 | OAD | 0.408451 | 0.816092 |
159 | NA7 | 0.408451 | 0.848837 |
160 | BA3 | 0.407692 | 0.793103 |
161 | ATP | 0.406015 | 0.813953 |
162 | HEJ | 0.406015 | 0.813953 |
163 | 8LH | 0.405797 | 0.827586 |
164 | YLB | 0.405229 | 0.897727 |
165 | AP5 | 0.40458 | 0.793103 |
166 | B4P | 0.40458 | 0.793103 |
167 | ADQ | 0.404255 | 0.795455 |
168 | YLP | 0.403974 | 0.876405 |
169 | 2A5 | 0.402985 | 0.837209 |
170 | AQP | 0.402985 | 0.813953 |
171 | APR | 0.402985 | 0.793103 |
172 | AR6 | 0.402985 | 0.793103 |
173 | 5FA | 0.402985 | 0.813953 |
174 | FYA | 0.402778 | 0.804598 |
175 | ME8 | 0.402778 | 0.833333 |
176 | APU | 0.402597 | 0.777778 |
177 | AN2 | 0.401515 | 0.804598 |
178 | 5AL | 0.40146 | 0.804598 |
179 | JNT | 0.401408 | 0.837209 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3pvt.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3pvt.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |