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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 6 families. | |||||
1 | 5THU | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
2 | 5D1D | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
3 | 5DC7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
4 | 4QA4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
5 | 2V5X | Kd = 220 nM | V5X | C36 H41 N5 O5 | Cc1c(c2cc(.... |
6 | 4QA6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
7 | 5THT | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
8 | 4QA0 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
9 | 4QA2 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
10 | 3SFF | ic50 = 200 nM | 0DI | C20 H20 Cl F2 N3 O2 | c1cc(cc(c1.... |
11 | 7JVU | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
12 | 1W22 | ic50 = 175.5 nM | NHB | C17 H15 N3 O4 S2 | CN(c1ccc(c.... |
13 | 3RQD | - | 02G GLY BB9 03Y VAL | n/a | n/a |
14 | 3MZ4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
15 | 5THV | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
16 | 5DC6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
17 | 3EW8 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
18 | 1VKG | - | CRI | C24 H23 N3 O4 | Cc1ccc(cc1.... |
19 | 3MZ6 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
20 | 5THS | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
21 | 7JVW | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
22 | 3EWF | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
23 | 3MZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
24 | 5DC5 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
25 | 4QA5 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
26 | 1T64 | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
27 | 4QA7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
28 | 4RN2 | ic50 = 1500 nM | L7G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
29 | 7JVV | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
30 | 1T67 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
31 | 6HSK | - | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
32 | 4RN1 | - | L8G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
33 | 4QA1 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
34 | 5VI6 | - | PHE PHE CPI 5OM | n/a | n/a |
35 | 5FCW | ic50 = 0.3 uM | 5YA | C17 H13 N O2 | c1ccc2c(c1.... |
36 | 5D1C | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
37 | 5DC8 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
38 | 2V5W | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
39 | 4RN0 | ic50 = 255 nM | L6G | C21 H29 N5 O3 S3 | CC(C)[C@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5THU | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
2 | 5D1D | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
3 | 5DC7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
4 | 4QA4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
5 | 2V5X | Kd = 220 nM | V5X | C36 H41 N5 O5 | Cc1c(c2cc(.... |
6 | 4QA6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
7 | 5THT | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
8 | 4QA0 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
9 | 4QA2 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
10 | 3SFF | ic50 = 200 nM | 0DI | C20 H20 Cl F2 N3 O2 | c1cc(cc(c1.... |
11 | 7JVU | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
12 | 1W22 | ic50 = 175.5 nM | NHB | C17 H15 N3 O4 S2 | CN(c1ccc(c.... |
13 | 3RQD | - | 02G GLY BB9 03Y VAL | n/a | n/a |
14 | 3MZ4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
15 | 5THV | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
16 | 5DC6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
17 | 3EW8 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
18 | 1VKG | - | CRI | C24 H23 N3 O4 | Cc1ccc(cc1.... |
19 | 3MZ6 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
20 | 5THS | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
21 | 7JVW | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
22 | 3EWF | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
23 | 3MZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
24 | 5DC5 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
25 | 4QA5 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
26 | 1T64 | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
27 | 4QA7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
28 | 4RN2 | ic50 = 1500 nM | L7G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
29 | 7JVV | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
30 | 1T67 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
31 | 6HSK | - | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
32 | 4RN1 | - | L8G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
33 | 4QA1 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
34 | 5VI6 | - | PHE PHE CPI 5OM | n/a | n/a |
35 | 5FCW | ic50 = 0.3 uM | 5YA | C17 H13 N O2 | c1ccc2c(c1.... |
36 | 5D1C | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
37 | 5DC8 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
38 | 2V5W | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
39 | 4RN0 | ic50 = 255 nM | L6G | C21 H29 N5 O3 S3 | CC(C)[C@H].... |
40 | 5IX0 | Ki = 0.519 uM | 6EZ | C20 H21 F N2 O2 | c1cc(ccc1c.... |
41 | 6XDM | ic50 = 0.1 nM | V1D | C24 H30 F N5 O4 | CN1CC(C1)C.... |
42 | 7KBG | ic50 = 29 nM | WBA | C29 H26 F N5 O3 S | c1ccc2cc(c.... |
43 | 6XEC | - | V1S | C28 H38 F N5 O3 | CCC(CCCCC[.... |
44 | 4LY1 | Kd = 0.0552 uM | 20Y | C19 H17 N3 O2 S | CC(=O)Nc1c.... |
45 | 4LXZ | Kd = 0.182 uM | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
46 | 6XEB | - | V1P | C24 H35 N5 O4 | CCC(CCCCC[.... |
47 | 6WBW | - | TV1 | C27 H37 N5 O4 | CCC(CCCCC[.... |
48 | 6G3O | - | EL8 | C18 H20 F3 N3 O5 | C[C@H](CCC.... |
49 | 5IWG | Ki = 0.346 uM | IWX | C18 H19 F N2 O2 | c1cc(ccc1c.... |
50 | 6WBZ | - | TV7 | C32 H45 N5 O4 | CCC(CCCCC[.... |
51 | 3MAX | ic50 = 0.027 uM | LLX | C19 H16 N2 O | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MGB | 0.9281 |
2 | GLY GLY GLY | 0.9255 |
3 | N8C | 0.9199 |
4 | 6FG | 0.9193 |
5 | 2J3 | 0.9191 |
6 | GVA | 0.9171 |
7 | RES | 0.9128 |
8 | MKN | 0.9122 |
9 | PML | 0.9113 |
10 | N9M | 0.9082 |
11 | A5P | 0.9081 |
12 | 9J6 | 0.9080 |
13 | EGV | 0.9078 |
14 | R52 | 0.9068 |
15 | HSA | 0.9067 |
16 | BGT | 0.9066 |
17 | HRG | 0.9061 |
18 | 3S9 | 0.9054 |
19 | 1N5 | 0.9052 |
20 | 0OM | 0.9044 |
21 | S8G | 0.9041 |
22 | E8U | 0.9032 |
23 | NK5 | 0.9029 |
24 | 7XA | 0.9028 |
25 | JX7 | 0.9028 |
26 | KNA | 0.9023 |
27 | BZM | 0.9015 |
28 | 5RP | 0.9014 |
29 | ALY | 0.9004 |
30 | 6C8 | 0.8999 |
31 | ASF | 0.8993 |
32 | 5SP | 0.8985 |
33 | CT0 | 0.8977 |
34 | AHL | 0.8963 |
35 | HJD | 0.8950 |
36 | I58 | 0.8950 |
37 | R5P | 0.8949 |
38 | DAR | 0.8937 |
39 | KAP | 0.8937 |
40 | 5TO | 0.8925 |
41 | OCA | 0.8921 |
42 | CIR | 0.8918 |
43 | G6Q | 0.8912 |
44 | 6C9 | 0.8912 |
45 | REG | 0.8910 |
46 | ARG | 0.8908 |
47 | DMA | 0.8906 |
48 | F6R | 0.8901 |
49 | GPE | 0.8900 |
50 | HAR | 0.8900 |
51 | DKA | 0.8896 |
52 | M3L | 0.8890 |
53 | 3CX | 0.8889 |
54 | ENV | 0.8883 |
55 | DI9 | 0.8882 |
56 | RGP | 0.8881 |
57 | DEZ | 0.8878 |
58 | 0QA | 0.8874 |
59 | LPA | 0.8872 |
60 | SPD | 0.8870 |
61 | DIA | 0.8863 |
62 | P93 | 0.8861 |
63 | 1AE | 0.8853 |
64 | SOR | 0.8853 |
65 | IAR | 0.8852 |
66 | NFZ | 0.8850 |
67 | 6C4 | 0.8848 |
68 | BSA | 0.8843 |
69 | OJM | 0.8840 |
70 | HPO | 0.8838 |
71 | T03 | 0.8835 |
72 | 4DI | 0.8833 |
73 | JGY | 0.8829 |
74 | 4Z0 | 0.8829 |
75 | HLP | 0.8828 |
76 | GHQ | 0.8825 |
77 | 5KJ | 0.8823 |
78 | XOG | 0.8820 |
79 | 6FR | 0.8815 |
80 | S0B | 0.8814 |
81 | PRO GLY | 0.8812 |
82 | TEG | 0.8808 |
83 | IPE | 0.8808 |
84 | LXP | 0.8805 |
85 | S8P | 0.8805 |
86 | PAN | 0.8805 |
87 | 9VQ | 0.8805 |
88 | DX5 | 0.8802 |
89 | PTB | 0.8801 |
90 | 6C5 | 0.8800 |
91 | 27K | 0.8788 |
92 | DXP | 0.8785 |
93 | JF5 | 0.8784 |
94 | CLT | 0.8779 |
95 | HL6 | 0.8779 |
96 | 8YH | 0.8772 |
97 | HPL | 0.8771 |
98 | TX4 | 0.8770 |
99 | ENW | 0.8769 |
100 | 8AC | 0.8769 |
101 | 4JK | 0.8769 |
102 | LPB | 0.8768 |
103 | 4AF | 0.8759 |
104 | D10 | 0.8755 |
105 | 5LD | 0.8754 |
106 | 0F3 | 0.8751 |
107 | ODI | 0.8750 |
108 | YI6 | 0.8750 |
109 | 3GZ | 0.8744 |
110 | MMN | 0.8740 |
111 | X1R | 0.8740 |
112 | D53 | 0.8739 |
113 | API | 0.8737 |
114 | 3S6 | 0.8737 |
115 | 3VR | 0.8736 |
116 | S6P | 0.8732 |
117 | ALA GLU | 0.8730 |
118 | 64Z | 0.8730 |
119 | MN9 | 0.8728 |
120 | D1G | 0.8727 |
121 | 011 | 0.8726 |
122 | R10 | 0.8726 |
123 | NBB | 0.8723 |
124 | M1T | 0.8720 |
125 | STX | 0.8715 |
126 | SAZ | 0.8715 |
127 | ILO | 0.8714 |
128 | 58X | 0.8713 |
129 | 536 | 0.8710 |
130 | D6P | 0.8708 |
131 | GGB | 0.8706 |
132 | VIO | 0.8706 |
133 | OHJ | 0.8705 |
134 | C26 | 0.8705 |
135 | ZZU | 0.8702 |
136 | WT2 | 0.8702 |
137 | DHJ | 0.8697 |
138 | PA5 | 0.8695 |
139 | 7UC | 0.8694 |
140 | 0OO | 0.8688 |
141 | OJD | 0.8685 |
142 | AGP | 0.8680 |
143 | Q86 | 0.8675 |
144 | 531 | 0.8673 |
145 | JAA | 0.8656 |
146 | NOT | 0.8653 |
147 | MYI | 0.8649 |
148 | 6MW | 0.8647 |
149 | IPR | 0.8645 |
150 | 463 | 0.8643 |
151 | MFY | 0.8642 |
152 | 3W6 | 0.8638 |
153 | OYA | 0.8636 |
154 | 3KJ | 0.8635 |
155 | SB7 | 0.8629 |
156 | M3B | 0.8629 |
157 | M5B | 0.8627 |
158 | S7D | 0.8624 |
159 | DA2 | 0.8619 |
160 | AHN | 0.8608 |
161 | 3W3 | 0.8606 |
162 | MVH | 0.8605 |
163 | HPK | 0.8603 |
164 | ALA GLN | 0.8602 |
165 | HPX | 0.8598 |
166 | ALA ZGL | 0.8598 |
167 | ALA ALA ALA | 0.8595 |
168 | G3M | 0.8594 |
169 | M28 | 0.8585 |
170 | 6PG | 0.8571 |
171 | U4G | 0.8557 |
172 | ATX | 0.8535 |
173 | DST | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 1w22.bio2) has 64 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1w22.bio1) has 64 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |