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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 3 families. | |||||
1 | 6T5J | ic50 = 25 nM | MKB | C20 H18 N4 O5 S | c1cc2c(cc[.... |
2 | 5LPG | - | 71V | C10 H14 N5 O7 P S | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 6T5J | ic50 = 25 nM | MKB | C20 H18 N4 O5 S | c1cc2c(cc[.... |
2 | 5LPG | - | 71V | C10 H14 N5 O7 P S | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 71V | 1 | 1 |
2 | AMP | 0.597403 | 0.906667 |
3 | A | 0.597403 | 0.906667 |
4 | AMZ | 0.558442 | 0.833333 |
5 | RGT | 0.546392 | 0.897436 |
6 | IMO | 0.536585 | 0.844156 |
7 | 7RA | 0.536585 | 0.92 |
8 | 6MZ | 0.53012 | 0.87013 |
9 | PGS | 0.523256 | 0.923077 |
10 | C2R | 0.518987 | 0.822785 |
11 | AIR | 0.513158 | 0.842105 |
12 | NIA | 0.506173 | 0.752941 |
13 | A2D | 0.5 | 0.883117 |
14 | 45A | 0.5 | 0.858974 |
15 | ABM | 0.5 | 0.858974 |
16 | ADP | 0.5 | 0.907895 |
17 | RMB | 0.5 | 0.815789 |
18 | HFD | 0.5 | 0.8625 |
19 | JSQ | 0.5 | 0.8625 |
20 | T99 | 0.494505 | 0.922078 |
21 | TAT | 0.494505 | 0.922078 |
22 | AT4 | 0.494253 | 0.922078 |
23 | SRA | 0.493976 | 0.909091 |
24 | AMP MG | 0.493976 | 0.868421 |
25 | RBZ | 0.493976 | 0.794872 |
26 | 6AD | 0.48913 | 0.948718 |
27 | ADX | 0.488636 | 0.821429 |
28 | AP2 | 0.488372 | 0.873418 |
29 | A12 | 0.488372 | 0.873418 |
30 | BA3 | 0.488372 | 0.883117 |
31 | 2SA | 0.483871 | 0.85 |
32 | O02 | 0.483516 | 0.864198 |
33 | 6C6 | 0.483516 | 0.82716 |
34 | ATP | 0.483146 | 0.907895 |
35 | HEJ | 0.483146 | 0.907895 |
36 | AP5 | 0.482759 | 0.883117 |
37 | B4P | 0.482759 | 0.883117 |
38 | AAM | 0.482353 | 0.906667 |
39 | P2P | 0.482353 | 0.844156 |
40 | FAI | 0.482353 | 0.833333 |
41 | 1RB | 0.481928 | 0.826667 |
42 | 25A | 0.479167 | 0.883117 |
43 | 6IA | 0.478261 | 0.788235 |
44 | APC | 0.477778 | 0.873418 |
45 | AQP | 0.477778 | 0.907895 |
46 | 5FA | 0.477778 | 0.907895 |
47 | ADP MG | 0.477273 | 0.857143 |
48 | AN2 | 0.477273 | 0.896104 |
49 | ADP BEF | 0.477273 | 0.857143 |
50 | G | 0.47191 | 0.85 |
51 | M33 | 0.47191 | 0.871795 |
52 | 5GP | 0.47191 | 0.85 |
53 | CA0 | 0.47191 | 0.860759 |
54 | AU1 | 0.47191 | 0.884615 |
55 | 7RP | 0.470588 | 0.866667 |
56 | N6P | 0.469388 | 0.855263 |
57 | 50T | 0.466667 | 0.896104 |
58 | ACP | 0.466667 | 0.884615 |
59 | KG4 | 0.466667 | 0.860759 |
60 | JLN | 0.465116 | 0.810127 |
61 | 6CR | 0.4625 | 0.775 |
62 | ACQ | 0.462366 | 0.884615 |
63 | APR | 0.461538 | 0.883117 |
64 | PRX | 0.461538 | 0.8375 |
65 | AR6 | 0.461538 | 0.883117 |
66 | HQG | 0.458333 | 0.896104 |
67 | GUO | 0.458333 | 0.8125 |
68 | AGS | 0.456522 | 0.910256 |
69 | RBY | 0.456522 | 0.85 |
70 | ADP PO3 | 0.456522 | 0.857143 |
71 | ADV | 0.456522 | 0.85 |
72 | APC MG | 0.456522 | 0.835443 |
73 | AD9 | 0.456522 | 0.884615 |
74 | ATP MG | 0.456522 | 0.857143 |
75 | ITT | 0.455556 | 0.857143 |
76 | PMO | 0.454545 | 0.794872 |
77 | ATF | 0.452632 | 0.873418 |
78 | BEF ADP | 0.451613 | 0.835443 |
79 | 6K6 | 0.44898 | 0.87013 |
80 | AVV | 0.44898 | 0.819277 |
81 | 6YZ | 0.447917 | 0.884615 |
82 | ANP | 0.446809 | 0.884615 |
83 | 93A | 0.444444 | 0.781609 |
84 | ADQ | 0.444444 | 0.860759 |
85 | 5AL | 0.442105 | 0.848101 |
86 | V2G | 0.442105 | 0.819277 |
87 | 8LE | 0.442105 | 0.817073 |
88 | K2R | 0.441176 | 0.802469 |
89 | A22 | 0.438776 | 0.896104 |
90 | VO4 ADP | 0.4375 | 0.860759 |
91 | ANP MG | 0.4375 | 0.848101 |
92 | ALF ADP | 0.4375 | 0.795181 |
93 | OK8 | 0.4375 | 0.802469 |
94 | ADP BMA | 0.435644 | 0.8375 |
95 | OZV | 0.434343 | 0.883117 |
96 | 9ZD | 0.434343 | 0.829268 |
97 | 9ZA | 0.434343 | 0.829268 |
98 | IMP | 0.433333 | 0.825 |
99 | 8LH | 0.43299 | 0.82716 |
100 | SRP | 0.43299 | 0.82716 |
101 | GAP | 0.431579 | 0.814815 |
102 | PAJ | 0.43 | 0.809524 |
103 | SON | 0.428571 | 0.85 |
104 | G7M | 0.428571 | 0.819277 |
105 | O05 | 0.427184 | 0.795455 |
106 | PTJ | 0.427184 | 0.819277 |
107 | 8BR | 0.426966 | 0.85 |
108 | EO7 | 0.426966 | 0.744444 |
109 | QA7 | 0.424242 | 0.817073 |
110 | MAP | 0.424242 | 0.8625 |
111 | 8LQ | 0.424242 | 0.82716 |
112 | A2P | 0.422222 | 0.868421 |
113 | RVP | 0.421687 | 0.772152 |
114 | 5SV | 0.42 | 0.797619 |
115 | 8QN | 0.42 | 0.848101 |
116 | OOB | 0.42 | 0.848101 |
117 | V3L | 0.416667 | 0.883117 |
118 | A1R | 0.415842 | 0.829268 |
119 | AMO | 0.415842 | 0.85 |
120 | 4AD | 0.415842 | 0.839506 |
121 | A3R | 0.415842 | 0.829268 |
122 | NO7 | 0.414141 | 0.85 |
123 | LMS | 0.413793 | 0.77907 |
124 | NB8 | 0.413462 | 0.819277 |
125 | JB6 | 0.413462 | 0.851852 |
126 | 00A | 0.411765 | 0.807229 |
127 | JNT | 0.411765 | 0.860759 |
128 | 7D5 | 0.411765 | 0.822785 |
129 | DLL | 0.411765 | 0.848101 |
130 | AHX | 0.411765 | 0.819277 |
131 | DAL AMP | 0.41 | 0.825 |
132 | 25L | 0.409524 | 0.896104 |
133 | 9X8 | 0.407767 | 0.886076 |
134 | 3UK | 0.407767 | 0.8375 |
135 | OAD | 0.407767 | 0.860759 |
136 | A3P | 0.406593 | 0.881579 |
137 | IRN | 0.405063 | 0.786667 |
138 | WAQ | 0.403846 | 0.807229 |
139 | B5V | 0.403846 | 0.82716 |
140 | PR8 | 0.403846 | 0.77907 |
141 | LAD | 0.403846 | 0.788235 |
142 | 2FA | 0.402439 | 0.7625 |
143 | B5Y | 0.401869 | 0.817073 |
144 | B5M | 0.401869 | 0.817073 |
145 | FYA | 0.4 | 0.848101 |
146 | 1ZZ | 0.4 | 0.770115 |
147 | ME8 | 0.4 | 0.790698 |
148 | BIS | 0.4 | 0.851852 |
149 | TXA | 0.4 | 0.85 |
150 | 3OD | 0.4 | 0.860759 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XMP | 0.9745 |
2 | DG | 0.9688 |
3 | 6OG | 0.9654 |
4 | IMU | 0.9577 |
5 | 6CG | 0.9469 |
6 | DGP | 0.9463 |
7 | 6MA | 0.9455 |
8 | FMP | 0.9439 |
9 | TMP | 0.9416 |
10 | 8OG | 0.9407 |
11 | DA | 0.9370 |
12 | D5M | 0.9368 |
13 | 8GM | 0.9355 |
14 | AOC | 0.9337 |
15 | 8OP | 0.9303 |
16 | BRU | 0.9293 |
17 | Z8B | 0.9264 |
18 | CNU | 0.9191 |
19 | IRP | 0.9189 |
20 | 5CM | 0.9180 |
21 | MTA | 0.9175 |
22 | UFP | 0.9157 |
23 | 5BU | 0.9140 |
24 | NEC | 0.9134 |
25 | N5O | 0.9119 |
26 | NYM | 0.9114 |
27 | U5P | 0.9112 |
28 | NMN | 0.9111 |
29 | A3N | 0.9110 |
30 | 5HU | 0.9096 |
31 | C | 0.9084 |
32 | 5HM | 0.9076 |
33 | 5FU | 0.9062 |
34 | TKW | 0.9056 |
35 | J7C | 0.9047 |
36 | GDP | 0.9041 |
37 | 5IU | 0.9013 |
38 | 6RE | 0.9013 |
39 | FDM | 0.9007 |
40 | ZAS | 0.9005 |
41 | UP6 | 0.9001 |
42 | UMP | 0.8999 |
43 | O8M | 0.8996 |
44 | CMP | 0.8995 |
45 | C5P | 0.8972 |
46 | QBT | 0.8961 |
47 | AS | 0.8954 |
48 | H2U | 0.8949 |
49 | PCG | 0.8945 |
50 | 3DH | 0.8901 |
51 | U | 0.8897 |
52 | NWQ | 0.8891 |
53 | GMP | 0.8891 |
54 | DCM | 0.8888 |
55 | MCF | 0.8884 |
56 | PFU | 0.8883 |
57 | 2DT | 0.8880 |
58 | 16B | 0.8870 |
59 | DI | 0.8866 |
60 | 35G | 0.8859 |
61 | NCN | 0.8857 |
62 | SP1 | 0.8854 |
63 | DDN | 0.8843 |
64 | 9L3 | 0.8840 |
65 | DU | 0.8832 |
66 | 3F5 | 0.8831 |
67 | T3S | 0.8823 |
68 | ATM | 0.8797 |
69 | 75G | 0.8767 |
70 | KB7 | 0.8746 |
71 | DUS | 0.8734 |
72 | RP1 | 0.8722 |
73 | 6J7 | 0.8719 |
74 | CAR | 0.8718 |
75 | PSU | 0.8716 |
76 | ADN | 0.8705 |
77 | UMC | 0.8702 |
78 | FMC | 0.8698 |
79 | DGI | 0.8662 |
80 | A4D | 0.8640 |
81 | A8M | 0.8635 |
82 | 5N5 | 0.8614 |
83 | FN5 | 0.8576 |
84 | DC | 0.8568 |
85 | 0NH | 0.8552 |
86 | AD3 | 0.8550 |
87 | 1DA | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 6t5j.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6t5j.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |