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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 4 families. | |||||
1 | 3DF9 | - | DF9 | C19 H23 N5 O S | c1ccc(cc1).... |
2 | 4F1W | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
3 | 1Y6Q | Ki = 2 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
4 | 4YML | Ki = 4.5 nM | 4F0 | C13 H19 N5 O S | CSC[C@@H]1.... |
5 | 1NC3 | Ki = 10 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
6 | 4WKC | Ki = 0.21 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
7 | 1JYS | Ki = 300 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
8 | 4F2W | Ki = 5 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
9 | 1NC1 | Ki = 0.75 uM | MTH | C12 H16 N4 O3 S | CSC[C@@H]1.... |
10 | 1Z5N | Ki = 300 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
11 | 4F2P | Ki = 5 pM | 2EL | C16 H25 N5 O3 S | c1c(c2c([n.... |
12 | 1Y6R | Ki = 77 pM | MTM | C12 H19 N5 O2 S | CSC[C@@H]1.... |
13 | 4F3C | Ki = 1.5 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
14 | 4F3K | Ki = 69 pM | HCE | C16 H24 N6 O3 S | c1c(c2c([n.... |
15 | 1Z5O | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
16 | 4X24 | Ki = 166 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
17 | 3DP9 | Kd = 208 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
18 | 4WKB | Ki = 2.7 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3DF9 | - | DF9 | C19 H23 N5 O S | c1ccc(cc1).... |
2 | 4F1W | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
3 | 1Y6Q | Ki = 2 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
4 | 4YML | Ki = 4.5 nM | 4F0 | C13 H19 N5 O S | CSC[C@@H]1.... |
5 | 1NC3 | Ki = 10 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
6 | 4WKC | Ki = 0.21 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
7 | 1JYS | Ki = 300 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
8 | 4F2W | Ki = 5 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
9 | 1NC1 | Ki = 0.75 uM | MTH | C12 H16 N4 O3 S | CSC[C@@H]1.... |
10 | 1Z5N | Ki = 300 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
11 | 4F2P | Ki = 5 pM | 2EL | C16 H25 N5 O3 S | c1c(c2c([n.... |
12 | 1Y6R | Ki = 77 pM | MTM | C12 H19 N5 O2 S | CSC[C@@H]1.... |
13 | 4F3C | Ki = 1.5 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
14 | 4F3K | Ki = 69 pM | HCE | C16 H24 N6 O3 S | c1c(c2c([n.... |
15 | 1Z5O | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
16 | 1ZOS | Ki = 1 uM | MTM | C12 H19 N5 O2 S | CSC[C@@H]1.... |
17 | 4WKP | - | 3QA | C17 H27 N5 O3 S | c1c(c2c([n.... |
18 | 6DYV | Kd = 0.026 nM | OS3 | C17 H23 N5 O S | C#CCCCSC[C.... |
19 | 4YNB | Ki = 0.043 nM | 4EH | C16 H19 N7 O S | c1cnc(cn1).... |
20 | 4FFS | Kd = 36 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
21 | 6DYY | Kd = 0.028 nM | OS6 | C21 H32 N8 O S | CCCCn1cc(n.... |
22 | 3NM6 | - | TRS | C4 H12 N O3 | C(C(CO)(CO.... |
23 | 4WKN | Ki = 0.19 nM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
24 | 4OY3 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
25 | 5KB3 | Kd = 570 pM | 4CT | C18 H20 Cl N5 O S | c1cc(ccc1S.... |
26 | 4YO8 | Ki = 0.03 nM | 4EZ | C14 H23 N5 O | CCCCCCN(Cc.... |
27 | 4P54 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
28 | 3NM5 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
29 | 4WKO | Ki = 0.34 nM | GMD | C16 H25 N5 O2 S | c1c(c2c([n.... |
30 | 6DYW | Kd = 0.036 nM | OS5 | C24 H30 N8 O S | c1ccc(cc1).... |
31 | 6DYU | Kd = 0.055 nM | OS2 | C15 H19 N5 O S | C#CCSC[C@H.... |
32 | 4OJT | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
33 | 4X24 | Ki = 166 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
34 | 3DP9 | Kd = 208 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
35 | 4WKB | Ki = 2.7 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
36 | 4BMZ | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
37 | 4BMX | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3BL6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
39 | 6AYR | Ki = 4.1 nM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
40 | 6AYQ | Ki = 6.5 nM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
41 | 6AYO | Ki = 5.1 nM | C1Y | C14 H21 N5 O | CCC[C@H]1C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MTM | 0.9990 |
2 | ADN | 0.9782 |
3 | A4D | 0.9781 |
4 | MTI | 0.9773 |
5 | FMC | 0.9721 |
6 | M2T | 0.9703 |
7 | IMH | 0.9684 |
8 | NOS | 0.9641 |
9 | 1DA | 0.9609 |
10 | 9DI | 0.9584 |
11 | TAL | 0.9579 |
12 | NWW | 0.9575 |
13 | FMB | 0.9559 |
14 | NWQ | 0.9536 |
15 | DBM | 0.9534 |
16 | N8M | 0.9533 |
17 | 5NB | 0.9525 |
18 | PRH | 0.9508 |
19 | ZAS | 0.9506 |
20 | AD3 | 0.9496 |
21 | 5AD | 0.9488 |
22 | GMP | 0.9475 |
23 | SNI | 0.9470 |
24 | MTP | 0.9465 |
25 | MDR | 0.9464 |
26 | HPR | 0.9456 |
27 | XYA | 0.9446 |
28 | 5N5 | 0.9446 |
29 | 6MD | 0.9411 |
30 | A | 0.9406 |
31 | 8OX | 0.9398 |
32 | 3AD | 0.9388 |
33 | 5FD | 0.9380 |
34 | GNG | 0.9373 |
35 | FM1 | 0.9369 |
36 | CFE | 0.9367 |
37 | 5ID | 0.9362 |
38 | AMP | 0.9360 |
39 | NEC | 0.9354 |
40 | MCF | 0.9352 |
41 | IMG | 0.9341 |
42 | EP4 | 0.9332 |
43 | 5CD | 0.9330 |
44 | IMP | 0.9324 |
45 | TDI | 0.9295 |
46 | FMP | 0.9287 |
47 | 3BH | 0.9270 |
48 | PUR | 0.9268 |
49 | 5UD | 0.9264 |
50 | 4UO | 0.9256 |
51 | 2FA | 0.9250 |
52 | 3D1 | 0.9249 |
53 | RAB | 0.9246 |
54 | FTU | 0.9226 |
55 | C1Y | 0.9217 |
56 | 5I5 | 0.9212 |
57 | THM | 0.9209 |
58 | EKH | 0.9204 |
59 | 13A | 0.9203 |
60 | UA2 | 0.9192 |
61 | CTN | 0.9190 |
62 | Z8B | 0.9187 |
63 | 6CR | 0.9180 |
64 | 26A | 0.9175 |
65 | Y3J | 0.9174 |
66 | RPP | 0.9161 |
67 | URI | 0.9153 |
68 | 5F1 | 0.9153 |
69 | 2FD | 0.9143 |
70 | FM2 | 0.9139 |
71 | CL9 | 0.9120 |
72 | D5M | 0.9100 |
73 | NOC | 0.9072 |
74 | 8BR | 0.9067 |
75 | UUA | 0.9061 |
76 | AFX | 0.9053 |
77 | 5BT | 0.9052 |
78 | MZR | 0.9037 |
79 | MG7 | 0.9034 |
80 | CC5 | 0.9031 |
81 | DCF | 0.9021 |
82 | DUR | 0.9016 |
83 | DCZ | 0.9011 |
84 | 8HG | 0.9009 |
85 | TMP | 0.9008 |
86 | DIH | 0.9001 |
87 | DA | 0.8986 |
88 | ARJ | 0.8981 |
89 | U | 0.8980 |
90 | 0DN | 0.8960 |
91 | 7D7 | 0.8958 |
92 | 2TU | 0.8952 |
93 | 5MD | 0.8945 |
94 | 38B | 0.8938 |
95 | DNB | 0.8935 |
96 | 4F0 | 0.8930 |
97 | MCY | 0.8925 |
98 | XTS | 0.8906 |
99 | IM5 | 0.8902 |
100 | 5P7 | 0.8893 |
101 | RBV | 0.8876 |
102 | 3L1 | 0.8875 |
103 | 93A | 0.8850 |
104 | B86 | 0.8842 |
105 | KF5 | 0.8832 |
106 | ID2 | 0.8823 |
107 | GA2 | 0.8820 |
108 | 6U5 | 0.8817 |
109 | ZYV | 0.8815 |
110 | 5FU | 0.8803 |
111 | ZJB | 0.8798 |
112 | CDY | 0.8795 |
113 | ACE TRP | 0.8784 |
114 | UMP | 0.8783 |
115 | PSU | 0.8762 |
116 | 9UL | 0.8758 |
117 | ACK | 0.8758 |
118 | TIZ | 0.8745 |
119 | 3DT | 0.8743 |
120 | OS2 | 0.8742 |
121 | UFP | 0.8729 |
122 | A4G | 0.8725 |
123 | TKW | 0.8723 |
124 | I0D | 0.8723 |
125 | QQX | 0.8721 |
126 | DU | 0.8714 |
127 | NEO | 0.8703 |
128 | PIR | 0.8703 |
129 | QQY | 0.8702 |
130 | DCM | 0.8689 |
131 | NYM | 0.8677 |
132 | 5IU | 0.8675 |
133 | NEU | 0.8675 |
134 | HBI | 0.8673 |
135 | 8OG | 0.8663 |
136 | HDU | 0.8659 |
137 | MTE | 0.8653 |
138 | X2M | 0.8646 |
139 | KMG | 0.8643 |
140 | UMC | 0.8641 |
141 | TR7 | 0.8634 |
142 | UX0 | 0.8634 |
143 | 4EZ | 0.8626 |
144 | DC | 0.8626 |
145 | SY4 | 0.8623 |
146 | N1Y | 0.8608 |
147 | IM4 | 0.8608 |
148 | DI | 0.8605 |
149 | DOC | 0.8605 |
150 | DUS | 0.8604 |
151 | TRP | 0.8602 |
152 | 6OG | 0.8601 |
153 | PE2 | 0.8595 |
154 | SGP | 0.8595 |
155 | THU | 0.8591 |
156 | AX8 | 0.8587 |
157 | 145 | 0.8580 |
158 | 5JT | 0.8578 |
159 | 8DA | 0.8575 |
160 | BGC GLC | 0.8557 |
This union binding pocket(no: 2) in the query (biounit: 4wkc.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |