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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 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Kd = 2.6 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Kd = 0.6 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Kd = 0.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Kd = 2.6 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Kd = 0.6 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Kd = 0.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6IA | 1 | 1 |
2 | 6MZ | 0.730769 | 0.871795 |
3 | 6K6 | 0.666667 | 0.896104 |
4 | 6C6 | 0.643678 | 0.875 |
5 | 2SA | 0.622222 | 0.851852 |
6 | NO7 | 0.608696 | 0.851852 |
7 | A | 0.578313 | 0.858974 |
8 | AMP | 0.578313 | 0.858974 |
9 | IMO | 0.55814 | 0.822785 |
10 | 6MD | 0.518519 | 0.759494 |
11 | PGS | 0.51087 | 0.767442 |
12 | 45A | 0.505618 | 0.860759 |
13 | ABM | 0.505618 | 0.860759 |
14 | QA7 | 0.50505 | 0.864198 |
15 | ADP | 0.48913 | 0.8375 |
16 | A2D | 0.488889 | 0.814815 |
17 | PRX | 0.484211 | 0.8625 |
18 | AMP MG | 0.483146 | 0.822785 |
19 | 5AL | 0.479592 | 0.82716 |
20 | AU1 | 0.478723 | 0.817073 |
21 | ITT | 0.478723 | 0.8125 |
22 | M33 | 0.478723 | 0.82716 |
23 | 71V | 0.478261 | 0.788235 |
24 | A12 | 0.478261 | 0.829268 |
25 | AP2 | 0.478261 | 0.829268 |
26 | BA3 | 0.478261 | 0.814815 |
27 | 7RP | 0.477778 | 0.844156 |
28 | 8LQ | 0.475248 | 0.851852 |
29 | ATP | 0.473684 | 0.8375 |
30 | 50T | 0.473684 | 0.82716 |
31 | HEJ | 0.473684 | 0.8375 |
32 | AP5 | 0.473118 | 0.814815 |
33 | B4P | 0.473118 | 0.814815 |
34 | 9ZD | 0.470588 | 0.831325 |
35 | 25A | 0.470588 | 0.8375 |
36 | 9ZA | 0.470588 | 0.831325 |
37 | 8LH | 0.47 | 0.851852 |
38 | 5FA | 0.46875 | 0.8375 |
39 | APC | 0.46875 | 0.829268 |
40 | G 6MZ C | 0.46875 | 0.8 |
41 | AQP | 0.46875 | 0.8375 |
42 | AT4 | 0.468085 | 0.807229 |
43 | AN2 | 0.468085 | 0.82716 |
44 | SRA | 0.466667 | 0.817073 |
45 | AIR | 0.464286 | 0.797468 |
46 | ADX | 0.463158 | 0.741573 |
47 | CA0 | 0.463158 | 0.795181 |
48 | K2R | 0.462264 | 0.82716 |
49 | AHX | 0.461538 | 0.821429 |
50 | N6P | 0.461538 | 0.833333 |
51 | XAH | 0.458716 | 0.835294 |
52 | ACP | 0.458333 | 0.839506 |
53 | KG4 | 0.458333 | 0.795181 |
54 | 8QN | 0.456311 | 0.82716 |
55 | 5SV | 0.456311 | 0.843373 |
56 | HY8 | 0.45614 | 0.732558 |
57 | TAT | 0.454545 | 0.807229 |
58 | AMZ | 0.454545 | 0.768293 |
59 | ANP | 0.454545 | 0.817073 |
60 | T99 | 0.454545 | 0.807229 |
61 | ACQ | 0.454545 | 0.839506 |
62 | AR6 | 0.453608 | 0.814815 |
63 | APR | 0.453608 | 0.814815 |
64 | ADP MG | 0.452632 | 0.8125 |
65 | ADP BEF | 0.452632 | 0.8125 |
66 | 4AD | 0.451923 | 0.819277 |
67 | 8LE | 0.45 | 0.841463 |
68 | V2G | 0.45 | 0.843373 |
69 | AGS | 0.44898 | 0.797619 |
70 | RBY | 0.44898 | 0.807229 |
71 | ADV | 0.44898 | 0.807229 |
72 | AD9 | 0.44898 | 0.817073 |
73 | PTJ | 0.448598 | 0.865854 |
74 | TXA | 0.448598 | 0.807229 |
75 | JNT | 0.447619 | 0.839506 |
76 | ARU | 0.447619 | 0.833333 |
77 | YLP | 0.447368 | 0.837209 |
78 | DAL AMP | 0.446602 | 0.804878 |
79 | ANP MG | 0.445545 | 0.804878 |
80 | BEF ADP | 0.444444 | 0.792683 |
81 | NIA | 0.444444 | 0.715909 |
82 | SRP | 0.441176 | 0.851852 |
83 | 6YZ | 0.441176 | 0.839506 |
84 | AAM | 0.44086 | 0.858974 |
85 | RMB | 0.44086 | 0.818182 |
86 | LAD | 0.439252 | 0.855422 |
87 | HZ2 | 0.438596 | 0.732558 |
88 | C2R | 0.438202 | 0.759036 |
89 | PAJ | 0.438095 | 0.855422 |
90 | AMO | 0.438095 | 0.829268 |
91 | HQG | 0.436893 | 0.82716 |
92 | TT8 | 0.436893 | 0.72619 |
93 | YLB | 0.435897 | 0.858824 |
94 | 1ZZ | 0.435185 | 0.813953 |
95 | FYA | 0.435185 | 0.85 |
96 | ME8 | 0.435185 | 0.857143 |
97 | NB8 | 0.435185 | 0.8 |
98 | RBZ | 0.434783 | 0.820513 |
99 | ADP PO3 | 0.434343 | 0.8125 |
100 | ATP MG | 0.434343 | 0.8125 |
101 | APC MG | 0.434343 | 0.792683 |
102 | ARG AMP | 0.433628 | 0.825581 |
103 | A22 | 0.432692 | 0.82716 |
104 | MAP | 0.432692 | 0.797619 |
105 | ATF | 0.431373 | 0.807229 |
106 | 6MA | 0.427083 | 0.8375 |
107 | 5AS | 0.427083 | 0.73913 |
108 | WAQ | 0.425926 | 0.809524 |
109 | GAP | 0.425743 | 0.817073 |
110 | P2P | 0.425532 | 0.822785 |
111 | 7RA | 0.425532 | 0.848101 |
112 | JLN | 0.425532 | 0.768293 |
113 | FAI | 0.425532 | 0.768293 |
114 | A1R | 0.424528 | 0.853659 |
115 | ADQ | 0.424528 | 0.817073 |
116 | LMS | 0.423913 | 0.722222 |
117 | 1RB | 0.423913 | 0.805195 |
118 | YLC | 0.423729 | 0.857143 |
119 | 3US | 0.422764 | 0.793103 |
120 | SON | 0.42268 | 0.829268 |
121 | 48N | 0.422414 | 0.8 |
122 | AYB | 0.421488 | 0.848837 |
123 | 7MD | 0.421053 | 0.835294 |
124 | DLL | 0.420561 | 0.804878 |
125 | TSB | 0.419048 | 0.717391 |
126 | MTP | 0.418605 | 0.690476 |
127 | MYR AMP | 0.418182 | 0.793103 |
128 | VO4 ADP | 0.417476 | 0.817073 |
129 | ALF ADP | 0.417476 | 0.755814 |
130 | A5A | 0.417476 | 0.725275 |
131 | OK8 | 0.417476 | 0.783133 |
132 | IOT | 0.416667 | 0.827586 |
133 | 9X8 | 0.416667 | 0.797619 |
134 | OAD | 0.416667 | 0.817073 |
135 | PMO | 0.416667 | 0.797468 |
136 | OZV | 0.415094 | 0.814815 |
137 | OOB | 0.415094 | 0.804878 |
138 | AP0 | 0.411765 | 0.8 |
139 | 7MC | 0.411765 | 0.837209 |
140 | A3R | 0.411215 | 0.853659 |
141 | LSS | 0.411215 | 0.78022 |
142 | KMQ | 0.410714 | 0.829268 |
143 | B5M | 0.410714 | 0.797619 |
144 | 54H | 0.409524 | 0.747253 |
145 | VMS | 0.409524 | 0.747253 |
146 | 52H | 0.409524 | 0.73913 |
147 | 3OD | 0.409091 | 0.817073 |
148 | 1PR | 0.409091 | 0.776471 |
149 | BIS | 0.409091 | 0.809524 |
150 | GA7 | 0.408696 | 0.875 |
151 | NVA LMS | 0.407407 | 0.752688 |
152 | 00A | 0.407407 | 0.767442 |
153 | 36A | 0.40678 | 0.704545 |
154 | F2R | 0.406504 | 0.837209 |
155 | 25L | 0.405405 | 0.82716 |
156 | 5GP | 0.40404 | 0.785714 |
157 | G | 0.40404 | 0.785714 |
158 | LEU LMS | 0.40367 | 0.769231 |
159 | 3UK | 0.40367 | 0.795181 |
160 | ADP BMA | 0.40367 | 0.795181 |
161 | 3DH | 0.402174 | 0.728395 |
162 | A2P | 0.402062 | 0.822785 |
163 | A3P | 0.402062 | 0.835443 |
164 | 9SN | 0.401786 | 0.758621 |
165 | YLA | 0.401639 | 0.816092 |
166 | B5V | 0.4 | 0.785714 |
167 | J4G | 0.4 | 0.864198 |
168 | PR8 | 0.4 | 0.845238 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4kxl.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4kxl.bio2) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |