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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 337 families. | |||||
1 | 3B6Z | - | CO7 | C25 H40 N7 O17 P3 S | C/C=C/C(=O.... |
2 | 3B70 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 225 families. | |||||
1 | 3B6Z | - | CO7 | C25 H40 N7 O17 P3 S | C/C=C/C(=O.... |
2 | 3B70 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CO7 | 1 | 1 |
2 | 7L1 | 0.856 | 0.966292 |
3 | COO | 0.832061 | 1 |
4 | 1GZ | 0.741007 | 0.988636 |
5 | ACO | 0.713235 | 0.966292 |
6 | 8Z2 | 0.709459 | 0.966667 |
7 | WCA | 0.705479 | 0.977528 |
8 | 3KK | 0.702899 | 0.977273 |
9 | DAK | 0.702703 | 0.966667 |
10 | CAO | 0.698529 | 0.944444 |
11 | COS | 0.698529 | 0.955056 |
12 | OXK | 0.697842 | 0.977273 |
13 | IVC | 0.695035 | 0.988506 |
14 | 1VU | 0.692857 | 0.966292 |
15 | CO6 | 0.692857 | 0.977273 |
16 | FYN | 0.690647 | 0.977012 |
17 | 2MC | 0.687943 | 0.956044 |
18 | BCO | 0.683099 | 0.977273 |
19 | MLC | 0.683099 | 0.977273 |
20 | 3HC | 0.683099 | 0.988506 |
21 | 1HE | 0.683099 | 0.955556 |
22 | KFV | 0.680556 | 0.895833 |
23 | CAA | 0.678322 | 0.988506 |
24 | MCA | 0.678322 | 0.966292 |
25 | COK | 0.673759 | 0.955056 |
26 | SOP | 0.673759 | 0.955056 |
27 | YXR | 0.673611 | 0.886598 |
28 | MC4 | 0.673611 | 0.945652 |
29 | YXS | 0.673611 | 0.886598 |
30 | SCA | 0.673611 | 0.977273 |
31 | A1S | 0.671329 | 0.955056 |
32 | CMC | 0.669014 | 0.955056 |
33 | BYC | 0.668966 | 0.977273 |
34 | HGG | 0.668966 | 0.977273 |
35 | 3CP | 0.668966 | 0.955056 |
36 | IRC | 0.668966 | 0.988506 |
37 | COW | 0.668966 | 0.966292 |
38 | FAQ | 0.664384 | 0.977273 |
39 | BCA | 0.664384 | 0.966292 |
40 | COA | 0.664234 | 0.977012 |
41 | 0T1 | 0.664234 | 0.954545 |
42 | 1CZ | 0.662162 | 0.966292 |
43 | CO8 | 0.662162 | 0.955556 |
44 | 30N | 0.66187 | 0.894737 |
45 | DCA | 0.661765 | 0.932584 |
46 | HXC | 0.659864 | 0.955556 |
47 | GRA | 0.659864 | 0.977273 |
48 | ST9 | 0.657718 | 0.955556 |
49 | DCC | 0.657718 | 0.955556 |
50 | MYA | 0.657718 | 0.955556 |
51 | 5F9 | 0.657718 | 0.955556 |
52 | UCC | 0.657718 | 0.955556 |
53 | MFK | 0.657718 | 0.955556 |
54 | TGC | 0.655405 | 0.966292 |
55 | 2NE | 0.651007 | 0.955556 |
56 | 2CP | 0.650685 | 0.944444 |
57 | CA6 | 0.65035 | 0.867347 |
58 | AMX | 0.65 | 0.965517 |
59 | ETB | 0.649635 | 0.9 |
60 | HAX | 0.647887 | 0.933333 |
61 | 2KQ | 0.646259 | 0.955556 |
62 | COF | 0.646259 | 0.934066 |
63 | SCO | 0.64539 | 0.954545 |
64 | CMX | 0.64539 | 0.954545 |
65 | HDC | 0.644737 | 0.955556 |
66 | COD | 0.644444 | 0.965517 |
67 | 4CA | 0.641892 | 0.944444 |
68 | FAM | 0.640845 | 0.933333 |
69 | FCX | 0.640845 | 0.923077 |
70 | MRR | 0.640523 | 0.955556 |
71 | MRS | 0.640523 | 0.955556 |
72 | CIC | 0.64 | 0.955056 |
73 | CS8 | 0.638158 | 0.945055 |
74 | YNC | 0.636364 | 0.988636 |
75 | J5H | 0.636364 | 0.977273 |
76 | NHW | 0.633987 | 0.934066 |
77 | UOQ | 0.633987 | 0.934066 |
78 | NHM | 0.633987 | 0.934066 |
79 | 4KX | 0.633987 | 0.966667 |
80 | 0ET | 0.631579 | 0.934066 |
81 | SCD | 0.630137 | 0.954545 |
82 | CAJ | 0.630137 | 0.933333 |
83 | MCD | 0.627586 | 0.933333 |
84 | KGP | 0.627586 | 0.886598 |
85 | YZS | 0.627586 | 0.886598 |
86 | 0FQ | 0.625 | 0.955056 |
87 | 4CO | 0.625 | 0.944444 |
88 | CA8 | 0.624161 | 0.886598 |
89 | NMX | 0.623288 | 0.884211 |
90 | 01A | 0.620915 | 0.913979 |
91 | HFQ | 0.619355 | 0.934066 |
92 | 1CV | 0.616883 | 0.977273 |
93 | 1HA | 0.616352 | 0.955556 |
94 | KGJ | 0.614865 | 0.875 |
95 | LCV | 0.610738 | 0.877551 |
96 | SO5 | 0.610738 | 0.877551 |
97 | YE1 | 0.610738 | 0.94382 |
98 | NHQ | 0.603774 | 0.965909 |
99 | KGA | 0.602649 | 0.865979 |
100 | F8G | 0.598765 | 0.935484 |
101 | S0N | 0.597403 | 0.933333 |
102 | 01K | 0.592593 | 0.955056 |
103 | CCQ | 0.587097 | 0.934783 |
104 | CA3 | 0.581818 | 0.955056 |
105 | UCA | 0.579882 | 0.955556 |
106 | COT | 0.579268 | 0.955056 |
107 | RMW | 0.564706 | 0.955556 |
108 | 93P | 0.561404 | 0.944444 |
109 | CA5 | 0.555556 | 0.913979 |
110 | N9V | 0.54717 | 0.944444 |
111 | 93M | 0.545455 | 0.944444 |
112 | ATR | 0.544715 | 0.781609 |
113 | BUA COA | 0.538462 | 0.94382 |
114 | A2R | 0.53125 | 0.795455 |
115 | HMG | 0.52795 | 0.94382 |
116 | A22 | 0.527132 | 0.795455 |
117 | 5TW | 0.524324 | 0.935484 |
118 | 4BN | 0.524324 | 0.935484 |
119 | NA7 | 0.522727 | 0.83908 |
120 | 6NA COA | 0.521739 | 0.923077 |
121 | OXT | 0.521739 | 0.914894 |
122 | DKA COA | 0.521472 | 0.923077 |
123 | PLM COA | 0.521472 | 0.923077 |
124 | MYR COA | 0.521472 | 0.923077 |
125 | DAO COA | 0.521472 | 0.923077 |
126 | EO3 COA | 0.521472 | 0.923077 |
127 | DCR COA | 0.521472 | 0.923077 |
128 | X90 COA | 0.521472 | 0.923077 |
129 | COA FLC | 0.516556 | 0.943182 |
130 | JBT | 0.502618 | 0.895833 |
131 | A2P | 0.495935 | 0.770115 |
132 | NDP | 0.489796 | 0.791209 |
133 | BSJ | 0.486631 | 0.923913 |
134 | ODP | 0.483221 | 0.782609 |
135 | TXP | 0.47651 | 0.831461 |
136 | ASP ASP ASP ILE NH2 CMC | 0.47486 | 0.912088 |
137 | RFC | 0.473684 | 0.955556 |
138 | SFC | 0.473684 | 0.955556 |
139 | NJP | 0.473333 | 0.788889 |
140 | XNP | 0.470199 | 0.793478 |
141 | NPW | 0.469799 | 0.824176 |
142 | NZQ | 0.466667 | 0.802198 |
143 | 25L | 0.457143 | 0.795455 |
144 | 25A | 0.445255 | 0.784091 |
145 | DG1 | 0.44375 | 0.791209 |
146 | 1DG | 0.44375 | 0.791209 |
147 | PTJ | 0.439716 | 0.852273 |
148 | 2AM | 0.439024 | 0.781609 |
149 | ACE SER ASP ALY THR NH2 COA | 0.438144 | 0.912088 |
150 | NA0 | 0.432099 | 0.797753 |
151 | 5AD NJS | 0.420765 | 0.934783 |
152 | MET VAL ASN ALA CMC | 0.420513 | 0.912088 |
153 | HQG | 0.42029 | 0.795455 |
154 | NAP | 0.419753 | 0.786517 |
155 | PAP | 0.41791 | 0.793103 |
156 | PAJ | 0.411348 | 0.863636 |
157 | KMQ | 0.410959 | 0.797753 |
158 | A2D | 0.410853 | 0.784091 |
159 | 48N | 0.410596 | 0.791209 |
160 | TAP | 0.408537 | 0.78022 |
161 | AGS | 0.407407 | 0.808989 |
162 | OAD | 0.405594 | 0.806818 |
163 | 0WD | 0.405063 | 0.791209 |
164 | YLC | 0.402597 | 0.886364 |
165 | ADP | 0.401515 | 0.804598 |
166 | V3L | 0.40146 | 0.784091 |
167 | 2A5 | 0.4 | 0.827586 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3b6z.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |