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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 19 families. | |||||
1 | 1YPE | Ki = 8 nM | UIP | C26 H30 N4 O3 | CC[C@@H]1[.... |
2 | 1YPM | Ki = 1.9 uM | RA4 | C23 H35 N7 O5 | [H]/N=C(N).... |
3 | 1YPJ | Ki = 95 nM | UIB | C26 H32 N4 O3 | CC[C@@H]1[.... |
4 | 1YPG | Ki = 10 nM | UIR | C27 H30 N4 O3 | c1cc(ccc1[.... |
5 | 1H8D | - | PHW | C45 H48 N3 O9 P | CO/C=C/C[C.... |
6 | 1H8I | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
7 | 1YPL | Ki = 10.6 uM | RA8 | C23 H38 N6 O4 S | [H]/N=C(/N.... |
8 | 3U8T | Ki = 16.5 uM | DPN PRO DAR CYS NH2 | n/a | n/a |
9 | 1EB1 | Ki = 37 pM | ZAL PRO MMO | n/a | n/a |
10 | 1YPK | - | CCR | C29 H39 N5 O7 S | Cc1cc(c(c(.... |
11 | 1SB1 | Ki = 128 nM | 165 | C28 H35 N5 O4 S2 | c1ccc(cc1).... |
12 | 4LOY | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
13 | 4HFP | Kd = 42 nM | 15U | C23 H36 N6 O5 S | [H]/N=C(N).... |
14 | 1TWX | - | ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU | n/a | n/a |
15 | 1VR1 | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
16 | 3BV9 | Ki = 4.4 uM | DAR OIC PRO DAL 4PH NH2 | n/a | n/a |
17 | 3U8R | Ki = 7.7 uM | DPN PRO DAR ILE NH2 | n/a | n/a |
18 | 3U8O | Ki = 0.92 uM | DPN PRO DAR DTH NH2 | n/a | n/a |
19 | 1ETR | - | MIT | C23 H37 N6 O5 S | C[C@@H]1CC.... |
20 | 1ETS | Ki = 6 nM | MID | C27 H31 N5 O4 S | [H]/N=C(/c.... |
21 | 1HXF | - | ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU | n/a | n/a |
22 | 1C5N | Ki = 20 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
23 | 2JH0 | Ki = 2 nM | 701 | C18 H24 Cl N3 O5 S2 | C[C@@H](C(.... |
24 | 1WBG | ic50 = 1 mM | L03 | C9 H8 Cl N3 S | CSc1[nH]c(.... |
25 | 1AFE | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
26 | 3DA9 | Kd = 3.1 uM | 44U | C23 H29 N3 O2 | CCCNC(=O)[.... |
27 | 2UUJ | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
28 | 1QHR | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
29 | 1QJ1 | ic50 = 9 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
30 | 1AE8 | - | AZL | C21 H33 N5 O4 | CCOC(=O)N[.... |
31 | 1C5L | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
32 | 4BAO | Ki = 4.29 nM | MVF | C22 H32 N6 O3 | [H]/N=C(/c.... |
33 | 2JH5 | Ki = 367 nM | 895 | C17 H22 Cl N3 O5 S2 | C[C@@H](C(.... |
34 | 1HXE | - | ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU | n/a | n/a |
35 | 1QJ6 | ic50 = 18 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
36 | 1AWF | Ki = 0.97 uM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
37 | 2GDE | ic50 = 5.7 nM | SN3 | C26 H43 Cl N6 O10 S | [H]/N=C(N).... |
38 | 8KME | Ki = 8 uM | ACE 0BN CHG MLY LEU PRO NH2 | n/a | n/a |
39 | 1NY2 | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
40 | 2H9T | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
41 | 1QJ7 | ic50 = 18 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
42 | 1UMA | - | IN2 | C8 H18 N4 O3 | CN(C)C(=O).... |
43 | 2UUK | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
44 | 1AD8 | Ki = 247 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
45 | 2UUF | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
46 | 1XMN | - | SGN IDS SGN IDS SGN | n/a | n/a |
47 | 2JH6 | Ki = 17 nM | 894 | C17 H24 Cl N3 O5 S2 | C[C@@H](C(.... |
48 | 2ANM | ic50 = 1.8 nM | CDO | C23 H32 N6 O4 | [H]/N=C(/c.... |
49 | 1HAH | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
50 | 3BF6 | ic50 = 40 uM | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
51 | 1WAY | ic50 = 400 uM | L02 | C14 H16 Cl N3 | c1cc(ccc1c.... |
52 | 7KME | Ki = 40 uM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
53 | 3PMA | - | GU4 YYJ | n/a | n/a |
54 | 3BEF | - | ASN ASP LYS TYR GLU PRO PHE TRP GLU | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 1YPE | Ki = 8 nM | UIP | C26 H30 N4 O3 | CC[C@@H]1[.... |
2 | 1YPM | Ki = 1.9 uM | RA4 | C23 H35 N7 O5 | [H]/N=C(N).... |
3 | 1YPJ | Ki = 95 nM | UIB | C26 H32 N4 O3 | CC[C@@H]1[.... |
4 | 1YPG | Ki = 10 nM | UIR | C27 H30 N4 O3 | c1cc(ccc1[.... |
5 | 1H8D | - | PHW | C45 H48 N3 O9 P | CO/C=C/C[C.... |
6 | 1H8I | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
7 | 1YPL | Ki = 10.6 uM | RA8 | C23 H38 N6 O4 S | [H]/N=C(/N.... |
8 | 3U8T | Ki = 16.5 uM | DPN PRO DAR CYS NH2 | n/a | n/a |
9 | 1EB1 | Ki = 37 pM | ZAL PRO MMO | n/a | n/a |
10 | 1YPK | - | CCR | C29 H39 N5 O7 S | Cc1cc(c(c(.... |
11 | 1SB1 | Ki = 128 nM | 165 | C28 H35 N5 O4 S2 | c1ccc(cc1).... |
12 | 4LOY | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
13 | 4HFP | Kd = 42 nM | 15U | C23 H36 N6 O5 S | [H]/N=C(N).... |
14 | 1TWX | - | ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU | n/a | n/a |
15 | 1VR1 | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
16 | 3BV9 | Ki = 4.4 uM | DAR OIC PRO DAL 4PH NH2 | n/a | n/a |
17 | 3U8R | Ki = 7.7 uM | DPN PRO DAR ILE NH2 | n/a | n/a |
18 | 3U8O | Ki = 0.92 uM | DPN PRO DAR DTH NH2 | n/a | n/a |
19 | 1UVT | Ki = 0.023 uM | I48 | C20 H22 N3 O3 S | Cc1cc(cc(c.... |
20 | 1ETT | Ki = 1.3 uM | 4QQ | C22 H28 N4 O3 S | [H]/N=C(c1.... |
21 | 1ETR | - | MIT | C23 H37 N6 O5 S | C[C@@H]1CC.... |
22 | 1ETS | Ki = 6 nM | MID | C27 H31 N5 O4 S | [H]/N=C(/c.... |
23 | 1HXF | - | ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU | n/a | n/a |
24 | 1C5N | Ki = 20 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
25 | 2JH0 | Ki = 2 nM | 701 | C18 H24 Cl N3 O5 S2 | C[C@@H](C(.... |
26 | 1WBG | ic50 = 1 mM | L03 | C9 H8 Cl N3 S | CSc1[nH]c(.... |
27 | 1AFE | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
28 | 3DA9 | Kd = 3.1 uM | 44U | C23 H29 N3 O2 | CCCNC(=O)[.... |
29 | 2UUJ | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
30 | 1QHR | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
31 | 1QJ1 | ic50 = 9 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
32 | 1AE8 | - | AZL | C21 H33 N5 O4 | CCOC(=O)N[.... |
33 | 1C5L | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
34 | 4BAO | Ki = 4.29 nM | MVF | C22 H32 N6 O3 | [H]/N=C(/c.... |
35 | 2JH5 | Ki = 367 nM | 895 | C17 H22 Cl N3 O5 S2 | C[C@@H](C(.... |
36 | 1HXE | - | ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU | n/a | n/a |
37 | 1QJ6 | ic50 = 18 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
38 | 1AWF | Ki = 0.97 uM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
39 | 2GDE | ic50 = 5.7 nM | SN3 | C26 H43 Cl N6 O10 S | [H]/N=C(N).... |
40 | 8KME | Ki = 8 uM | ACE 0BN CHG MLY LEU PRO NH2 | n/a | n/a |
41 | 1NY2 | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
42 | 2H9T | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
43 | 1QJ7 | ic50 = 18 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
44 | 1UMA | - | IN2 | C8 H18 N4 O3 | CN(C)C(=O).... |
45 | 2UUK | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
46 | 1AD8 | Ki = 247 nM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
47 | 2UUF | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
48 | 1XMN | - | SGN IDS SGN IDS SGN | n/a | n/a |
49 | 2JH6 | Ki = 17 nM | 894 | C17 H24 Cl N3 O5 S2 | C[C@@H](C(.... |
50 | 2ANM | ic50 = 1.8 nM | CDO | C23 H32 N6 O4 | [H]/N=C(/c.... |
51 | 1HAH | - | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
52 | 3BF6 | ic50 = 40 uM | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
53 | 1WAY | ic50 = 400 uM | L02 | C14 H16 Cl N3 | c1cc(ccc1c.... |
54 | 7KME | Ki = 40 uM | ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU | n/a | n/a |
55 | 3PMA | - | GU4 YYJ | n/a | n/a |
56 | 3BEF | - | ASN ASP LYS TYR GLU PRO PHE TRP GLU | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | L02 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S45 | 0.9777 |
2 | RF2 | 0.9627 |
3 | 0MB | 0.9443 |
4 | D25 | 0.9423 |
5 | D26 | 0.9377 |
6 | IPJ | 0.9370 |
7 | 90G | 0.9353 |
8 | 2OX | 0.9328 |
9 | CIU | 0.9296 |
10 | 7KE | 0.9274 |
11 | 39R | 0.9223 |
12 | SJR | 0.9223 |
13 | JVB | 0.9213 |
14 | SNJ | 0.9206 |
15 | K4T | 0.9206 |
16 | 1GV | 0.9187 |
17 | NVS | 0.9183 |
18 | JON | 0.9169 |
19 | 90M | 0.9160 |
20 | REG | 0.9139 |
21 | 20P | 0.9138 |
22 | 5ET | 0.9136 |
23 | 9EG | 0.9121 |
24 | A9B | 0.9109 |
25 | PB2 | 0.9109 |
26 | HDI | 0.9107 |
27 | 1Q2 | 0.9103 |
28 | KWV | 0.9101 |
29 | BSU | 0.9091 |
30 | MKN | 0.9089 |
31 | F41 | 0.9071 |
32 | F5N | 0.9049 |
33 | 1R5 | 0.9049 |
34 | 4ZW | 0.9044 |
35 | BP5 | 0.9038 |
36 | SYD | 0.9033 |
37 | CT0 | 0.9029 |
38 | 245 | 0.9024 |
39 | E42 | 0.9022 |
40 | 246 | 0.9022 |
41 | 43G | 0.9016 |
42 | 4VC | 0.9009 |
43 | J84 | 0.9000 |
44 | JP5 | 0.8992 |
45 | H50 | 0.8988 |
46 | F91 | 0.8985 |
47 | HHB | 0.8985 |
48 | K0G | 0.8982 |
49 | SO7 | 0.8980 |
50 | 4B8 | 0.8973 |
51 | 6XR | 0.8970 |
52 | 5EU | 0.8963 |
53 | 4P9 | 0.8955 |
54 | S0B | 0.8954 |
55 | C0E | 0.8952 |
56 | D9Q | 0.8947 |
57 | A9E | 0.8943 |
58 | HCC | 0.8942 |
59 | N0E | 0.8941 |
60 | 83D | 0.8940 |
61 | FZ3 | 0.8933 |
62 | 0K7 | 0.8928 |
63 | BZM | 0.8925 |
64 | TEF | 0.8924 |
65 | ESJ | 0.8921 |
66 | GJG | 0.8918 |
67 | S38 | 0.8917 |
68 | HAU | 0.8914 |
69 | HPX | 0.8913 |
70 | P7V | 0.8909 |
71 | UN3 | 0.8906 |
72 | SVG | 0.8901 |
73 | 00G | 0.8895 |
74 | JPW | 0.8894 |
75 | 4KN | 0.8892 |
76 | ZUF | 0.8887 |
77 | E92 | 0.8884 |
78 | G50 | 0.8873 |
79 | BGK | 0.8866 |
80 | 658 | 0.8865 |
81 | 0RA | 0.8865 |
82 | CMZ | 0.8864 |
83 | SQG | 0.8862 |
84 | KOT | 0.8862 |
85 | S8P | 0.8853 |
86 | 2JP | 0.8851 |
87 | D1G | 0.8850 |
88 | 0QA | 0.8849 |
89 | Q8G | 0.8848 |
90 | 1Q1 | 0.8842 |
91 | E98 | 0.8840 |
92 | Y27 | 0.8834 |
93 | JP8 | 0.8829 |
94 | 521 | 0.8829 |
95 | 4Z0 | 0.8824 |
96 | 7SB | 0.8824 |
97 | LIT | 0.8823 |
98 | H0V | 0.8823 |
99 | J2N | 0.8821 |
100 | 121 | 0.8820 |
101 | 205 | 0.8819 |
102 | A0R | 0.8817 |
103 | X8W | 0.8811 |
104 | BDE | 0.8810 |
105 | K5D | 0.8808 |
106 | 8CC | 0.8808 |
107 | KWD | 0.8808 |
108 | 4UE | 0.8807 |
109 | U55 | 0.8803 |
110 | 120 | 0.8799 |
111 | HPK | 0.8798 |
112 | 1HP | 0.8797 |
113 | 135 | 0.8793 |
114 | BXS | 0.8791 |
115 | NK5 | 0.8789 |
116 | OGY | 0.8786 |
117 | C0V | 0.8786 |
118 | PW5 | 0.8781 |
119 | 5DE | 0.8778 |
120 | GYZ | 0.8778 |
121 | 20N | 0.8777 |
122 | YE6 | 0.8773 |
123 | D2G | 0.8770 |
124 | 6NF | 0.8769 |
125 | 5C1 | 0.8768 |
126 | BMZ | 0.8767 |
127 | 27K | 0.8767 |
128 | FCW | 0.8765 |
129 | MT6 | 0.8764 |
130 | 122 | 0.8762 |
131 | 69W | 0.8761 |
132 | JVD | 0.8756 |
133 | JV5 | 0.8754 |
134 | 4WA | 0.8754 |
135 | PHQ DTH | 0.8753 |
136 | D64 | 0.8750 |
137 | HPZ | 0.8741 |
138 | LC1 | 0.8741 |
139 | Q86 | 0.8740 |
140 | UV4 | 0.8739 |
141 | 2L7 | 0.8739 |
142 | CR4 | 0.8739 |
143 | BAI | 0.8734 |
144 | JXA | 0.8734 |
145 | LZ4 | 0.8732 |
146 | E8Z | 0.8731 |
147 | 0UL | 0.8731 |
148 | AD6 | 0.8730 |
149 | GJE | 0.8729 |
150 | 5ZM | 0.8727 |
151 | UMP | 0.8724 |
152 | G2V | 0.8723 |
153 | 6FG | 0.8713 |
154 | 7GM | 0.8709 |
155 | 49G | 0.8707 |
156 | 6C8 | 0.8707 |
157 | MBT | 0.8699 |
158 | 8YH | 0.8698 |
159 | 5NR | 0.8696 |
160 | 6C5 | 0.8693 |
161 | EEK | 0.8689 |
162 | PTR | 0.8687 |
163 | 9ME | 0.8686 |
164 | NC4 | 0.8683 |
165 | A8D | 0.8681 |
166 | FX5 | 0.8680 |
167 | JCQ | 0.8676 |
168 | 68C | 0.8676 |
169 | PHE ALA | 0.8668 |
170 | 35K | 0.8662 |
171 | VGV | 0.8661 |
172 | 22M | 0.8659 |
173 | 5TO | 0.8659 |
174 | 5WK | 0.8658 |
175 | Z3R | 0.8658 |
176 | 4UM | 0.8656 |
177 | 9W8 | 0.8655 |
178 | D9T | 0.8653 |
179 | M4N | 0.8650 |
180 | GHQ | 0.8648 |
181 | YI1 | 0.8645 |
182 | AT2 | 0.8642 |
183 | JZJ | 0.8642 |
184 | RKY | 0.8641 |
185 | 0DF | 0.8640 |
186 | 7ZO | 0.8638 |
187 | K97 | 0.8636 |
188 | N9M | 0.8634 |
189 | 0S0 | 0.8625 |
190 | PIQ | 0.8622 |
191 | 5EZ | 0.8622 |
192 | RGK | 0.8621 |
193 | NNF | 0.8621 |
194 | 6DQ | 0.8618 |
195 | 3F4 | 0.8616 |
196 | F21 | 0.8613 |
197 | SZ5 | 0.8610 |
198 | 08C | 0.8610 |
199 | S0J | 0.8606 |
200 | MFY | 0.8605 |
201 | XZ1 | 0.8604 |
202 | KOH | 0.8603 |
203 | LVB | 0.8601 |
204 | IYX | 0.8591 |
205 | KU1 | 0.8590 |
206 | 4UJ | 0.8585 |
207 | GUS | 0.8575 |
208 | 0H9 | 0.8572 |
209 | GQZ | 0.8557 |
210 | DCM | 0.8546 |
211 | NIF | 0.8544 |
212 | NRG | 0.8543 |
213 | BBP | 0.8540 |
214 | MMJ | 0.8539 |
215 | 91F | 0.8525 |
216 | X6W | 0.8518 |