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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 426 families. | |||||
1 | 2X0W | - | X0W | C10 H11 N O2 S | Cc1nc2cc(c.... |
2 | 4AGM | Kd = 105 uM | P86 | C16 H24 I2 N2 O | CCN(CC)C1C.... |
3 | 5AB9 | Kd = 470 uM | 92O | C15 H20 N2 | CCc1cccc2c.... |
4 | 6GGE | - | EYE | C21 H23 N2 S | CCn1c2ccc(.... |
5 | 2X0V | - | X0V | C7 H7 F3 N2 | c1cc(c(cc1.... |
6 | 5O1A | Kd = 30 uM | 9H5 | C16 H17 I2 N3 O2 | CN1CCN(CC1.... |
7 | 5G4O | Kd = 37.2 uM | O80 | C17 H17 F3 N2 | CN(C)Cc1cc.... |
8 | 5O1F | Kd = 30 uM | 9GQ | C15 H16 I N O4 | CCCCOc1cc(.... |
9 | 5AOJ | Kd = 21 uM | Y0V | C11 H7 I2 N O3 | c1ccn(c1)c.... |
10 | 6GGF | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
11 | 5O1G | Kd = 116 uM | 9GK | C19 H16 I N O4 | c1ccc(cc1).... |
12 | 5O1I | Kd = 4 uM | 9GH | C16 H16 I N3 O3 S | CCN(CC)c1n.... |
13 | 5AOL | Kd = 4800 uM | UFV | C7 H6 Br F3 N2 | c1c(cc(c(c.... |
14 | 6GGC | - | EXN | C20 H21 N2 O | CCn1c2ccc(.... |
15 | 5AOI | Kd = 940 uM | RZH | C13 H17 Br N2 | CCc1cc(cc2.... |
16 | 5O1D | Kd = 22 uM | 9GW | C14 H14 I N O4 | CCCOc1cc(c.... |
17 | 4AGP | Kd = 20.6 uM | P51 | C25 H31 I N2 O2 | CCN(CC)C1C.... |
18 | 6SI4 | Kd = 5.9 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
19 | 3ZME | - | QC5 | C17 H19 F N4 | CN(C)CCn1c.... |
20 | 5AOK | - | GOH | C11 H10 N6 O | c1ccn(c1)c.... |
21 | 6SI3 | Kd = 4 uM | LEB | C16 H14 Br F3 N2 | CNCc1ccc2c.... |
22 | 5A7B | Kd = 271 uM | KMN | C27 H32 N2 O2 | CCN(CC)C1C.... |
23 | 5ABA | Kd = 1040 uM | UL7 | C17 H24 Br Cl N2 O2 | c1c(cc(c(c.... |
24 | 6GGD | - | EYB | C19 H20 N3 O | CCn1c2ccc(.... |
25 | 2VUK | Kd = 125 uM | P83 | C16 H18 N2 | CCn1c2cccc.... |
26 | 4AGQ | Kd = 9.7 uM | P96 | C25 H32 I N3 O | CCN(CC)C1C.... |
27 | 5O1E | Kd = 33 uM | 9GT | C14 H12 I N O4 | C=CCOc1cc(.... |
28 | 4AGN | Kd = 107 uM | NXG | C19 H27 I N2 O2 | CCN(CC)C1C.... |
29 | 6GGA | - | EY2 | C16 H18 Br N2 | CCn1c2ccc(.... |
30 | 5O1B | Kd = 20 uM | 9H2 | C11 H9 I2 N O2 | c1ccn(c1)c.... |
31 | 5AOM | Kd = 1270 uM | FY8 | C12 H15 Cl N2 O2 | c1cc(c(cc1.... |
32 | 2X0U | - | X0U | C9 H8 N2 O2 S | c1c2c(cc3c.... |
33 | 4AGO | Kd = 15.5 uM | P74 | C24 H36 I N3 O3 | CCN(CC)C1C.... |
34 | 5O1C | Kd = 113 uM | 9GZ | C17 H11 F I N O3 | c1ccn(c1)c.... |
35 | 5G4N | Kd = 101 uM | O83 | C16 H16 F2 N2 | CNCc1ccc2c.... |
36 | 6GGB | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
37 | 5O1H | Kd = 14 uM | 9GN | C14 H14 I N O3 S | CCCSc1cc(c.... |
38 | 4AGL | Kd = 225 uM | P84 | C14 H20 I2 N2 O | CN1CCC(CC1.... |
39 | 6SI0 | Kd = 5.3 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
40 | 5G4M | Kd = 138 uM | O82 | C16 H17 F N2 | CNCc1ccc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 2X0W | - | X0W | C10 H11 N O2 S | Cc1nc2cc(c.... |
2 | 4AGM | Kd = 105 uM | P86 | C16 H24 I2 N2 O | CCN(CC)C1C.... |
3 | 5AB9 | Kd = 470 uM | 92O | C15 H20 N2 | CCc1cccc2c.... |
4 | 6GGE | - | EYE | C21 H23 N2 S | CCn1c2ccc(.... |
5 | 2X0V | - | X0V | C7 H7 F3 N2 | c1cc(c(cc1.... |
6 | 5O1A | Kd = 30 uM | 9H5 | C16 H17 I2 N3 O2 | CN1CCN(CC1.... |
7 | 5G4O | Kd = 37.2 uM | O80 | C17 H17 F3 N2 | CN(C)Cc1cc.... |
8 | 5O1F | Kd = 30 uM | 9GQ | C15 H16 I N O4 | CCCCOc1cc(.... |
9 | 5AOJ | Kd = 21 uM | Y0V | C11 H7 I2 N O3 | c1ccn(c1)c.... |
10 | 6GGF | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
11 | 5O1G | Kd = 116 uM | 9GK | C19 H16 I N O4 | c1ccc(cc1).... |
12 | 5O1I | Kd = 4 uM | 9GH | C16 H16 I N3 O3 S | CCN(CC)c1n.... |
13 | 5AOL | Kd = 4800 uM | UFV | C7 H6 Br F3 N2 | c1c(cc(c(c.... |
14 | 6GGC | - | EXN | C20 H21 N2 O | CCn1c2ccc(.... |
15 | 5AOI | Kd = 940 uM | RZH | C13 H17 Br N2 | CCc1cc(cc2.... |
16 | 5O1D | Kd = 22 uM | 9GW | C14 H14 I N O4 | CCCOc1cc(c.... |
17 | 4AGP | Kd = 20.6 uM | P51 | C25 H31 I N2 O2 | CCN(CC)C1C.... |
18 | 6SI4 | Kd = 5.9 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
19 | 3ZME | - | QC5 | C17 H19 F N4 | CN(C)CCn1c.... |
20 | 5AOK | - | GOH | C11 H10 N6 O | c1ccn(c1)c.... |
21 | 6SI3 | Kd = 4 uM | LEB | C16 H14 Br F3 N2 | CNCc1ccc2c.... |
22 | 5A7B | Kd = 271 uM | KMN | C27 H32 N2 O2 | CCN(CC)C1C.... |
23 | 5ABA | Kd = 1040 uM | UL7 | C17 H24 Br Cl N2 O2 | c1c(cc(c(c.... |
24 | 6GGD | - | EYB | C19 H20 N3 O | CCn1c2ccc(.... |
25 | 2VUK | Kd = 125 uM | P83 | C16 H18 N2 | CCn1c2cccc.... |
26 | 4AGQ | Kd = 9.7 uM | P96 | C25 H32 I N3 O | CCN(CC)C1C.... |
27 | 5O1E | Kd = 33 uM | 9GT | C14 H12 I N O4 | C=CCOc1cc(.... |
28 | 4AGN | Kd = 107 uM | NXG | C19 H27 I N2 O2 | CCN(CC)C1C.... |
29 | 6GGA | - | EY2 | C16 H18 Br N2 | CCn1c2ccc(.... |
30 | 5O1B | Kd = 20 uM | 9H2 | C11 H9 I2 N O2 | c1ccn(c1)c.... |
31 | 5AOM | Kd = 1270 uM | FY8 | C12 H15 Cl N2 O2 | c1cc(c(cc1.... |
32 | 2X0U | - | X0U | C9 H8 N2 O2 S | c1c2c(cc3c.... |
33 | 4AGO | Kd = 15.5 uM | P74 | C24 H36 I N3 O3 | CCN(CC)C1C.... |
34 | 5O1C | Kd = 113 uM | 9GZ | C17 H11 F I N O3 | c1ccn(c1)c.... |
35 | 5G4N | Kd = 101 uM | O83 | C16 H16 F2 N2 | CNCc1ccc2c.... |
36 | 6GGB | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
37 | 5O1H | Kd = 14 uM | 9GN | C14 H14 I N O3 S | CCCSc1cc(c.... |
38 | 4AGL | Kd = 225 uM | P84 | C14 H20 I2 N2 O | CN1CCC(CC1.... |
39 | 6SI0 | Kd = 5.3 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
40 | 5G4M | Kd = 138 uM | O82 | C16 H17 F N2 | CNCc1ccc2c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NDG | 0.9522 |
2 | NAG | 0.9480 |
3 | GDL | 0.9409 |
4 | AU8 | 0.9398 |
5 | LOG | 0.9370 |
6 | SNG | 0.9297 |
7 | EV2 | 0.9268 |
8 | MAG | 0.9263 |
9 | BNX | 0.9258 |
10 | 0OK | 0.9258 |
11 | 9KZ | 0.9213 |
12 | 0FR | 0.9187 |
13 | L1O | 0.9175 |
14 | MQG | 0.9175 |
15 | NGA | 0.9150 |
16 | BGN | 0.9129 |
17 | B52 | 0.9127 |
18 | 3R4 | 0.9126 |
19 | ST2 | 0.9126 |
20 | XCG | 0.9100 |
21 | FYR | 0.9099 |
22 | 3UG | 0.9094 |
23 | 3XR | 0.9090 |
24 | KF5 | 0.9085 |
25 | OA4 | 0.9080 |
26 | 0J4 | 0.9077 |
27 | 89J | 0.9059 |
28 | S0G | 0.9054 |
29 | OQC | 0.9053 |
30 | 7EH | 0.9051 |
31 | 68A | 0.9048 |
32 | VC3 | 0.9048 |
33 | 1A5 | 0.9046 |
34 | A2G | 0.9036 |
35 | 54E | 0.9029 |
36 | PQS | 0.9023 |
37 | KMY | 0.9021 |
38 | LP8 | 0.9021 |
39 | 9FH | 0.9018 |
40 | 22T | 0.9007 |
41 | CP7 | 0.9000 |
42 | 363 | 0.8997 |
43 | JO5 | 0.8995 |
44 | 4CN | 0.8993 |
45 | 27B | 0.8993 |
46 | 4AB | 0.8978 |
47 | 92O | 0.8976 |
48 | HBI | 0.8972 |
49 | H2B | 0.8972 |
50 | RVE | 0.8970 |
51 | 2P3 | 0.8970 |
52 | NYJ | 0.8968 |
53 | 2JX | 0.8967 |
54 | H4B | 0.8964 |
55 | H75 | 0.8961 |
56 | BA5 | 0.8944 |
57 | ZSP | 0.8942 |
58 | S7D | 0.8938 |
59 | BIO | 0.8937 |
60 | S0D | 0.8936 |
61 | RKN | 0.8934 |
62 | CC5 | 0.8930 |
63 | KP2 | 0.8928 |
64 | A4N | 0.8919 |
65 | 6P3 | 0.8910 |
66 | FCW | 0.8910 |
67 | 3QI | 0.8906 |
68 | 1BW | 0.8902 |
69 | GJP | 0.8885 |
70 | FF2 | 0.8880 |
71 | NPS | 0.8872 |
72 | QME | 0.8866 |
73 | EAE | 0.8865 |
74 | HNT | 0.8856 |
75 | 657 | 0.8855 |
76 | NPX | 0.8854 |
77 | 6E8 | 0.8849 |
78 | G14 | 0.8847 |
79 | E6Q | 0.8841 |
80 | EF2 | 0.8829 |
81 | A5Q | 0.8821 |
82 | CHQ | 0.8820 |
83 | CP6 | 0.8812 |
84 | BHS | 0.8811 |
85 | BHQ | 0.8808 |
86 | AWE | 0.8806 |
87 | 3AK | 0.8804 |
88 | JOB | 0.8800 |
89 | PZ8 | 0.8796 |
90 | ST1 | 0.8795 |
91 | A4T | 0.8793 |
92 | A9K | 0.8792 |
93 | MNS | 0.8791 |
94 | 2F8 | 0.8779 |
95 | BBK | 0.8779 |
96 | F4K | 0.8776 |
97 | JXK | 0.8776 |
98 | 7L4 | 0.8772 |
99 | TC8 | 0.8766 |
100 | PTB | 0.8764 |
101 | RSV | 0.8762 |
102 | PMP | 0.8761 |
103 | SJK | 0.8759 |
104 | PLP | 0.8758 |
105 | N1E | 0.8758 |
106 | 3XH | 0.8756 |
107 | 3DE | 0.8750 |
108 | 5AD | 0.8746 |
109 | 42R | 0.8739 |
110 | 3N1 | 0.8738 |
111 | 3VX | 0.8737 |
112 | RH1 | 0.8734 |
113 | 549 | 0.8734 |
114 | 12T | 0.8733 |
115 | TRP | 0.8726 |
116 | 1CY | 0.8726 |
117 | 0GA | 0.8726 |
118 | 0OO | 0.8724 |
119 | 0J5 | 0.8721 |
120 | DHC | 0.8721 |
121 | ZEC | 0.8718 |
122 | M3F | 0.8717 |
123 | N2M | 0.8716 |
124 | AUT | 0.8714 |
125 | 2J1 | 0.8711 |
126 | IQ5 | 0.8710 |
127 | 21D | 0.8709 |
128 | 6EL | 0.8708 |
129 | S0E | 0.8705 |
130 | G6P | 0.8703 |
131 | PH2 | 0.8701 |
132 | 4NP | 0.8701 |
133 | 3D1 | 0.8697 |
134 | Y70 | 0.8695 |
135 | 1QV | 0.8695 |
136 | MFZ | 0.8683 |
137 | QBP | 0.8681 |
138 | 3L1 | 0.8680 |
139 | YZ9 | 0.8679 |
140 | 4FC | 0.8677 |
141 | X04 | 0.8676 |
142 | SKF | 0.8675 |
143 | 3VS | 0.8674 |
144 | CUH | 0.8670 |
145 | NDD | 0.8670 |
146 | SNO | 0.8668 |
147 | GF4 | 0.8664 |
148 | KLV | 0.8662 |
149 | LZB | 0.8662 |
150 | GEN | 0.8661 |
151 | FY8 | 0.8661 |
152 | X0T | 0.8659 |
153 | K82 | 0.8656 |
154 | 7N8 | 0.8655 |
155 | HHS | 0.8654 |
156 | B56 | 0.8652 |
157 | K4V | 0.8651 |
158 | DAH | 0.8649 |
159 | N91 | 0.8645 |
160 | I2E | 0.8644 |
161 | 9R5 | 0.8640 |
162 | 5F1 | 0.8639 |
163 | 6J5 | 0.8638 |
164 | F5C | 0.8638 |
165 | 4MB | 0.8637 |
166 | C1M | 0.8637 |
167 | F4U | 0.8636 |
168 | 39Z | 0.8634 |
169 | QIV | 0.8633 |
170 | CTE | 0.8633 |
171 | EUE | 0.8630 |
172 | CPZ | 0.8630 |
173 | 4AF | 0.8629 |
174 | BGU | 0.8628 |
175 | 72D | 0.8628 |
176 | LVY | 0.8626 |
177 | 0ON | 0.8618 |
178 | 5B2 | 0.8618 |
179 | L3L | 0.8618 |
180 | 4NS | 0.8614 |
181 | PNP | 0.8614 |
182 | KMP | 0.8611 |
183 | S60 | 0.8610 |
184 | S8A | 0.8601 |
185 | PQM | 0.8601 |
186 | A4Q | 0.8596 |
187 | X0U | 0.8593 |
188 | SG2 | 0.8586 |
189 | 6HP | 0.8585 |
190 | FMQ | 0.8584 |
191 | 80G | 0.8583 |
192 | GC2 | 0.8583 |
193 | 8MO | 0.8579 |
194 | MD6 | 0.8575 |
195 | 5GT | 0.8571 |
196 | TGW | 0.8570 |
197 | I4D | 0.8566 |
198 | GO2 | 0.8564 |
199 | E1K | 0.8564 |
200 | DC5 | 0.8561 |
201 | J6W | 0.8560 |
202 | RNO | 0.8559 |
203 | W81 | 0.8559 |
204 | 3WJ | 0.8554 |
205 | IOS | 0.8539 |
206 | DBS | 0.8534 |
207 | LZJ | 0.8522 |
208 | 3AE | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 6si3.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6si3.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |