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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 209 families. | |||||
1 | 2NPA | - | MMB | C25 H28 N2 O5 | CCCO/N=C(C.... |
2 | 1K7L | - | 544 | C31 H30 N2 O5 | Cc1c(nc(o1.... |
3 | 5GTP | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
4 | 3LMP | Ki = 14 nM | CEK | C28 H23 N O7 | CC(=O)C1=C.... |
5 | 5GTN | - | Q35 | C33 H35 N3 O9 | CC[C@H](c1.... |
6 | 3VN2 | - | TLS | C33 H30 N4 O2 | CCCc1nc2c(.... |
7 | 5GTO | - | T35 | C33 H35 N3 O9 | CC[C@@H](c.... |
8 | 3V9Y | - | 24L | C32 H29 N O9 | CC(=O)C1=C.... |
9 | 4F9M | - | FCM | C30 H26 F N O7 | CCc1cc(c2c.... |
10 | 3CWD | - | LNB | C18 H31 N O4 | CCCCCC=C(/.... |
11 | 2HFP | ic50 = 3 nM | NSI | C30 H23 F3 N2 O4 S | COc1ccc(cc.... |
12 | 4HEE | - | 14R | C31 H27 N7 O | CCc1nc2c(n.... |
13 | 2P54 | - | 735 | C23 H21 F3 N2 O4 S | Cc1c(sc(n1.... |
14 | 3ET3 | - | ET1 | C19 H19 N O6 S | COc1ccc(cc.... |
15 | 3ET1 | - | ET1 | C19 H19 N O6 S | COc1ccc(cc.... |
16 | 3T03 | Ki = 160 nM | 3T0 | C19 H16 Br N O3 S | Cc1ccc(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 174 families. | |||||
1 | 2NPA | - | MMB | C25 H28 N2 O5 | CCCO/N=C(C.... |
2 | 1K7L | - | 544 | C31 H30 N2 O5 | Cc1c(nc(o1.... |
3 | 5GTP | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
4 | 3LMP | Ki = 14 nM | CEK | C28 H23 N O7 | CC(=O)C1=C.... |
5 | 5GTN | - | Q35 | C33 H35 N3 O9 | CC[C@H](c1.... |
6 | 3VN2 | - | TLS | C33 H30 N4 O2 | CCCc1nc2c(.... |
7 | 5GTO | - | T35 | C33 H35 N3 O9 | CC[C@@H](c.... |
8 | 3V9Y | - | 24L | C32 H29 N O9 | CC(=O)C1=C.... |
9 | 4F9M | - | FCM | C30 H26 F N O7 | CCc1cc(c2c.... |
10 | 3CWD | - | LNB | C18 H31 N O4 | CCCCCC=C(/.... |
11 | 2HFP | ic50 = 3 nM | NSI | C30 H23 F3 N2 O4 S | COc1ccc(cc.... |
12 | 4HEE | - | 14R | C31 H27 N7 O | CCc1nc2c(n.... |
13 | 2P54 | - | 735 | C23 H21 F3 N2 O4 S | Cc1c(sc(n1.... |
14 | 3ET3 | - | ET1 | C19 H19 N O6 S | COc1ccc(cc.... |
15 | 3ET1 | - | ET1 | C19 H19 N O6 S | COc1ccc(cc.... |
16 | 3T03 | Ki = 160 nM | 3T0 | C19 H16 Br N O3 S | Cc1ccc(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3T0 | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 3t03.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1UVC | STE | None |
2 | 2QZT | PLM | None |
3 | 2BP1 | FLC | 1.05634 |
4 | 3WYJ | H78 | 1.18577 |
5 | 1POC | GEL | 1.49254 |
6 | 4DR9 | BB2 | 1.5625 |
7 | 2PSJ | CEI | 1.76056 |
8 | 4XB4 | 45D | 1.97368 |
9 | 5XJ8 | NKO | 1.99005 |
10 | 5XJ7 | 87O | 1.99005 |
11 | 3V1S | 0LH | 2.11268 |
12 | 4IGH | FMN | 2.11268 |
13 | 4IGH | ORO | 2.11268 |
14 | 4IGH | 1EA | 2.11268 |
15 | 5OLZ | T4E | 2.11268 |
16 | 2CIX | CEJ | 2.11268 |
17 | 4AUT | FAD | 2.11268 |
18 | 1FK5 | OLA | 2.15054 |
19 | 2VWT | PYR | 2.24719 |
20 | 5NM7 | GLY | 2.25564 |
21 | 3WDM | ADN | 2.29885 |
22 | 3PVT | 3HC | 2.3166 |
23 | 2OBD | PCW | 2.46479 |
24 | 3CHT | 4NB | 2.46479 |
25 | 6FBA | D48 | 2.46479 |
26 | 3W68 | VIV | 2.63158 |
27 | 3DTU | DXC | 2.67176 |
28 | 4JMU | 1ML | 2.67857 |
29 | 5VRH | OLB | 2.8169 |
30 | 3COW | 52H | 2.8169 |
31 | 4CLI | 5P8 | 2.8169 |
32 | 5Z1N | PEF | 2.97619 |
33 | 5CSD | ACD | 3.14465 |
34 | 5LUN | OGA | 3.16901 |
35 | 3R9V | DXC | 3.16901 |
36 | 4P8K | FAD | 3.16901 |
37 | 4P8K | 38C | 3.16901 |
38 | 5TO8 | 7FM | 3.19149 |
39 | 5LPA | ATP | 3.33333 |
40 | 5LPA | 71R | 3.33333 |
41 | 1S17 | GNR | 3.33333 |
42 | 5DUF | G7A | 3.42205 |
43 | 2ET1 | GLV | 3.48259 |
44 | 5AZC | PGT | 3.52113 |
45 | 3CH6 | NAP | 3.52113 |
46 | 3CH6 | 311 | 3.52113 |
47 | 3W54 | RNB | 3.52113 |
48 | 5IM3 | DTP | 3.52113 |
49 | 5B4B | LP5 | 3.62903 |
50 | 2XXP | DSL | 3.87324 |
51 | 4QEK | GLC | 3.87324 |
52 | 5E58 | CPZ | 3.87324 |
53 | 2FDW | D3G | 3.87324 |
54 | 3P3G | 3P3 | 3.87324 |
55 | 3P3G | UKW | 3.87324 |
56 | 2UW1 | GVM | 3.87324 |
57 | 4A1O | JLN | 3.87324 |
58 | 4RQL | SNE | 3.87324 |
59 | 5IVX | ARG GLY PRO GLY ARG ALA PHE VAL THR ILE | 4 |
60 | 3SCM | LGN | 4.0404 |
61 | 3QUZ | QUV | 4.0404 |
62 | 3G08 | FEE | 4.0404 |
63 | 5KAU | RHQ | 4.24242 |
64 | 5BYK | A3P | 4.2471 |
65 | 5BYK | OAQ | 4.2471 |
66 | 2PR5 | FMN | 4.54545 |
67 | 2BCG | GER | 4.57746 |
68 | 2GWH | PCI | 4.57746 |
69 | 4ZBR | DIF | 4.57746 |
70 | 4ZBR | NPS | 4.57746 |
71 | 3ND6 | ATP | 4.67836 |
72 | 1OLM | VTQ | 4.92958 |
73 | 5CHR | 4NC | 4.92958 |
74 | 1NP7 | FAD | 4.92958 |
75 | 4OMJ | 2TX | 5.03597 |
76 | 5TIV | A3P | 5.13834 |
77 | 5IUY | BOG | 5.28169 |
78 | 4JX1 | CAH | 5.30973 |
79 | 4J7Q | B7N | 5.40541 |
80 | 3T50 | FMN | 5.46875 |
81 | 4M73 | SAH | 5.6338 |
82 | 4V24 | GYR | 5.98592 |
83 | 4KBS | PX2 | 6.04651 |
84 | 3RUG | DB6 | 6.22407 |
85 | 5MTE | BB2 | 6.56934 |
86 | 4GCZ | FMN | 6.69014 |
87 | 1LEK | GLU GLN TYR LYS PHE TYR SER VAL | 6.93431 |
88 | 1XQP | 8HG | 7.03125 |
89 | 4MRP | GSH | 7.04225 |
90 | 6BR9 | PGV | 7.04225 |
91 | 5MWY | YNU | 7.39437 |
92 | 5EK3 | 5PK | 7.39437 |
93 | 2ZCQ | B65 | 7.39437 |
94 | 1NHZ | 486 | 7.5 |
95 | 5UC4 | 83S | 7.72727 |
96 | 3P7N | FMN | 7.75194 |
97 | 2I0G | I0G | 7.7821 |
98 | 3FSM | 2NC | 7.88177 |
99 | 5BV6 | 35G | 7.89474 |
100 | 6GH1 | ARG LEU PRO ALA LYS ALA PRO LEU LEU | 8 |
101 | 3HUJ | AGH | 8.08081 |
102 | 6BJ3 | ILE PRO LEU THR GLU GLU ALA GLU LEU | 8.08081 |
103 | 5C9J | DAO | 8.08081 |
104 | 5G5W | R8C | 8.09859 |
105 | 4UDB | CV7 | 8.09859 |
106 | 5L7G | 6QE | 8.09859 |
107 | 5Y6Q | MCN | 8.09859 |
108 | 4LSJ | LSJ | 8.13953 |
109 | 4CVZ | TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU | 8.16327 |
110 | 5XS3 | VAL ARG SER ARG ARG CYS LEU ARG LEU | 8.16327 |
111 | 5HCV | 60R | 8.17121 |
112 | 1M2Z | DEX | 8.17121 |
113 | 3BQD | DAY | 8.23529 |
114 | 4P6X | HCY | 8.23529 |
115 | 1U3R | 338 | 8.29876 |
116 | 2A3I | C0R | 8.3004 |
117 | 4J26 | EST | 8.33333 |
118 | 4P6W | MOF | 8.33333 |
119 | 3RY9 | 1CA | 8.4 |
120 | 3RMK | BML | 8.43373 |
121 | 2IXB | A2G | 8.4507 |
122 | 4X6F | 3XU | 8.54093 |
123 | 5CX6 | CDP | 8.80282 |
124 | 3NB0 | G6P | 8.80282 |
125 | 3EEL | 53T | 8.81057 |
126 | 4FLP | JQ1 | 9.2437 |
127 | 4E2J | MOF | 9.6 |
128 | 2Q1H | AS4 | 9.6 |
129 | 3GN8 | DEX | 9.63855 |
130 | 5UFS | 1TA | 9.67742 |
131 | 1MT1 | AG2 | 9.73451 |
132 | 4WH9 | 3M8 | 9.83607 |
133 | 4B7S | QLE | 9.85915 |
134 | 1MID | LAP | 9.89011 |
135 | 5SVV | FMN | 10.219 |
136 | 5OCA | 9QZ | 10.3175 |
137 | 5UC1 | 486 | 10.3604 |
138 | 5EIN | NAP | 11.1111 |
139 | 1XVB | BHL | 11.2676 |
140 | 6FS0 | E4W | 11.3208 |
141 | 1MHC | FME TYR PHE ILE ASN ILE LEU THR LEU | 11.9718 |
142 | 4WUJ | FMN | 12.2449 |
143 | 4F7E | 0SH | 12.2449 |
144 | 3L9R | L9R | 12.2449 |
145 | 3WXL | ADP | 12.3239 |
146 | 5IF4 | 6AK | 12.5786 |
147 | 3D9F | N6C | 13.0282 |
148 | 1RL4 | BRR | 13.2979 |
149 | 2OI9 | GLN LEU SER PRO PHE PRO PHE ASP LEU | 13.4078 |
150 | 2V5E | SCR | 13.8614 |
151 | 1AOE | GW3 | 14.0625 |
152 | 1AOE | NDP | 14.0625 |
153 | 2V92 | ATP | 16.5605 |
154 | 2V92 | AMP | 16.5605 |
155 | 5Z84 | CHD | 16.6667 |
156 | 5W97 | CHD | 16.6667 |
157 | 5ZCO | PGV | 16.6667 |
158 | 5Z84 | PGV | 16.6667 |
159 | 5ZCO | PEK | 16.6667 |
160 | 1UUY | PPI | 16.7665 |
161 | 4YHQ | G10 | 17.1717 |
162 | 1G27 | BB1 | 17.2619 |
163 | 1BII | ARG GLY PRO GLY ARG ALA PHE VAL THR ILE | 17.6471 |
164 | 3E2M | E2M | 17.8378 |
165 | 4OGQ | 1O2 | 21.6216 |
166 | 4OGQ | 7PH | 21.6216 |
167 | 1N9L | FMN | 22.0183 |
168 | 3HYW | DCQ | 22.2222 |
169 | 1KJM | ALA GLN PHE SER ALA SER ALA SER ARG | 22.2222 |
170 | 2A1L | PCW | 22.2222 |
171 | 5UL5 | PLM | 22.2222 |
172 | 5UL5 | 8D7 | 22.2222 |
173 | 4RSE | PLM | 22.2222 |
174 | 5LXB | 7A9 | 23.5537 |
175 | 3AQT | RCO | 27.7778 |
176 | 3V49 | PK0 | 29.3233 |
177 | 4NAT | 2W5 | 29.375 |
178 | 5LWY | OLA | 33.3333 |
179 | 5LX9 | OLB | 33.3333 |
180 | 5T70 | THR SER ASN LEU GLN GLU GLN ILE GLY TRP | 33.3333 |
181 | 6GG9 | FMN | 33.3333 |
182 | 4Q0A | 4OA | 34.1549 |
183 | 2R40 | 20E | 35.3383 |
184 | 2O4J | VD4 | 35.9155 |
185 | 3KFC | 61X | 35.9684 |
186 | 3L0E | G58 | 37.1542 |
187 | 1N46 | PFA | 37.2093 |
188 | 3KMZ | EQO | 37.9699 |
189 | 5XPL | 8C9 | 38.0074 |
190 | 2Z7I | 742 | 38.8889 |
191 | 4YSX | E23 | 38.8889 |
192 | 3DCT | 064 | 39.5745 |
193 | 3FAL | REA | 39.8496 |
194 | 5APK | 76E | 40.3774 |
195 | 5NTW | 98N | 40.4669 |
196 | 3RUU | 37G | 40.6114 |
197 | 3OKI | OKI | 40.7725 |
198 | 5K13 | 6Q7 | 41.0569 |
199 | 4S15 | 4D8 | 41.6667 |
200 | 5IXK | 6EW | 41.6667 |
201 | 1T27 | PCW | 44.4444 |
This union binding pocket(no: 2) in the query (biounit: 3t03.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5TVI | MYR | None |
2 | 3KYQ | DPV | None |
3 | 5KZV | HCD | None |
4 | 5YVR | NDP | 1.40845 |
5 | 3PA8 | 621 | 1.5748 |
6 | 3D78 | NBB | 1.68067 |
7 | 5IBE | 69M | 1.76056 |
8 | 5K53 | STE | 1.9084 |
9 | 1O6U | PLM | 2.11268 |
10 | 4QXB | OGA | 2.11268 |
11 | 4RW3 | SHV | 2.46479 |
12 | 3QKD | HI0 | 2.76243 |
13 | 2RH1 | CLR | 2.8169 |
14 | 3K5X | P8D | 2.8169 |
15 | 4PGK | Y69 | 2.86885 |
16 | 3G5D | 1N1 | 3.16901 |
17 | 5LUN | ARG | 3.16901 |
18 | 2HFK | E4H | 3.16901 |
19 | 4F06 | PHB | 3.16901 |
20 | 3LN0 | 52B | 3.52113 |
21 | 1IID | NHM | 3.5545 |
22 | 2WDA | L42 | 3.66013 |
23 | 1ZPD | CIT | 3.87324 |
24 | 4O4Z | N2O | 3.8961 |
25 | 4M51 | BEZ | 4.22535 |
26 | 1EYQ | NAR | 4.5045 |
27 | 4LAE | 1VM | 4.79042 |
28 | 4LAE | NAP | 4.79042 |
29 | 3PE2 | E1B | 4.92958 |
30 | 4F4P | 0SB | 5.49451 |
31 | 3KV4 | OGA | 5.59284 |
32 | 6CB2 | OLC | 5.6338 |
33 | 3MG9 | GHP 3MY 3FG GHP GHP OMY 3FG | 5.6338 |
34 | 5NKB | 8ZT | 5.6338 |
35 | 2D5X | L35 | 5.67376 |
36 | 4K10 | NI9 | 5.98592 |
37 | 2BHW | NEX | 6.03448 |
38 | 3ZJQ | NCA | 6.15385 |
39 | 5V4R | MGT | 6.17284 |
40 | 4L77 | CNL | 6.33803 |
41 | 4RYV | ZEA | 6.45161 |
42 | 2GL0 | ADN | 6.58683 |
43 | 2G36 | TRP | 6.69014 |
44 | 1TV5 | N8E | 6.69014 |
45 | 3D72 | FAD | 6.71141 |
46 | 6GBV | FMN | 6.84932 |
47 | 1XX4 | BAM | 6.89655 |
48 | 2UYT | LRH | 7.04225 |
49 | 2UYT | ADP | 7.04225 |
50 | 1YYE | 196 | 7.46269 |
51 | 3E3U | NVC | 7.61421 |
52 | 4F4S | EFO | 7.89474 |
53 | 6BR8 | PGV | 7.93651 |
54 | 5WL1 | CUY | 8.08081 |
55 | 3UP3 | XCA | 8.23045 |
56 | 5TV6 | PML | 8.33333 |
57 | 4OAR | 2S0 | 8.52713 |
58 | 4M0R | 644 | 8.97098 |
59 | 5ECP | JAA | 9.15493 |
60 | 5ECP | MET | 9.15493 |
61 | 5ECP | ATP | 9.15493 |
62 | 6B5Q | PPI CZS 2KY MLY 1XY | 10.2222 |
63 | 2QQD | AG2 | 10.7143 |
64 | 4HIA | FMN | 10.7955 |
65 | 4HBM | 0Y7 | 10.8333 |
66 | 4G31 | 0WH | 11.1111 |
67 | 1XVB | 3BR | 11.2676 |
68 | 4MA7 | P2Z | 11.4035 |
69 | 4R38 | RBF | 11.4286 |
70 | 3N9Q | OGA | 11.6197 |
71 | 3N9O | OGA | 11.6197 |
72 | 3N9P | OGA | 11.6197 |
73 | 2Z6D | FMN | 12.3077 |
74 | 3RV5 | DXC | 12.3596 |
75 | 4WT2 | 3UD | 12.381 |
76 | 1EWF | PC1 | 12.6761 |
77 | 5ZCO | CHD | 16.6667 |
78 | 2DYR | PGV | 16.6667 |
79 | 5DJU | FMN | 30.3448 |
80 | 3MBG | FAD | 31.6547 |
81 | 3JZB | 4HY | 32.5843 |
82 | 5LWY | OLB | 33.3333 |
83 | 1T0S | BML | 33.3333 |
84 | 5U9J | GER | 33.3333 |
85 | 5LX9 | OLA | 33.3333 |
86 | 1M13 | HYF | 35.2113 |
87 | 3VRV | YSD | 38.0074 |
88 | 4WAS | NAP | 38.8889 |
89 | 3FAL | LO2 | 39.8496 |
90 | 4OIV | XX9 | 42.0354 |
91 | 1XAJ | NAD | 50 |
92 | 1XAJ | CRB | 50 |