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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 13 families. | |||||
1 | 1O48 | ic50 = 450 nM | 853 | C33 H35 N3 O7 | CC(=O)N[C@.... |
2 | 1O4N | ic50 > 40 mM | OXD | C2 H2 O4 | C(=O)(C(=O.... |
3 | 1O44 | ic50 = 3 nM | 852 | C34 H35 N3 O9 | CC(=O)N[C@.... |
4 | 1O4G | ic50 > 5 mM | I59 | C11 H11 O4 P | c1ccc2c(c1.... |
5 | 1SHD | ic50 = 0.67 uM | ACE PTR GLU GLU ILE GLU | n/a | n/a |
6 | 1O4O | ic50 = 3.5 mM | HPS | C6 H7 O4 P | c1ccc(cc1).... |
7 | 1A08 | Kd = 2.4 uM | ACE FTY GLU DIP | n/a | n/a |
8 | 1A07 | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
9 | 1A1B | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
10 | 1NZV | Kd = 0.4 uM | PRO GLN PTR ILE PTR VAL PRO ALA | n/a | n/a |
11 | 1O4L | ic50 > 40 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
12 | 1SHA | - | PTR VAL PRO MET LEU | n/a | n/a |
13 | 1F1W | - | SER PTR VAL ASN VAL GLN ASN | n/a | n/a |
14 | 1O4P | ic50 = 2.5 mM | 791 | C9 H8 O4 | c1ccc(cc1).... |
15 | 1O49 | ic50 = 437 nM | 493 | C32 H36 N3 O9 P | CC(=O)N[C@.... |
16 | 1O47 | ic50 = 4 nM | 822 | C31 H34 F2 N3 O6 P | CC(=O)N[C@.... |
17 | 1A1A | - | ACE PTH GLU DIP | n/a | n/a |
18 | 1SHB | - | PTR LEU ARG VAL ALA | n/a | n/a |
19 | 1O4B | ic50 = 2000 nM | 876 | C30 H35 N3 O9 P2 | CC(=O)N[C@.... |
20 | 1IS0 | Kd = 0.1 uM | AY0 GLU GLU ILE | n/a | n/a |
21 | 1A1E | Kd = 1 uM | ACE PTR GLU DIY | n/a | n/a |
22 | 4F5B | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
23 | 1O4J | ic50 = 4.4 mM | IS2 | C9 H12 N O4 P | CCc1ccc(cc.... |
24 | 1BKM | - | 1C5 | C26 H39 N4 O10 P | CC(=O)N[C@.... |
25 | 1O4Q | ic50 = 3.2 mM | 256 | C8 H8 O5 S | c1ccc(cc1).... |
26 | 1SKJ | ic50 = 7 uM | UR2 | C25 H38 N3 O10 P | CN(CCCC1CC.... |
27 | 1A1C | Kd = 0.4 uM | ACE PTR GLU DIX | n/a | n/a |
28 | 1O4H | ic50 = 3.6 mM | 772 | C10 H7 N2 O4 P | c1cc2ccc(n.... |
29 | 1P13 | - | CYS ASP PTR ALA ASN PHE LYS | n/a | n/a |
30 | 1KC2 | Kd = 0.21 uM | PRO GLN PTR GLU GLU ILE PRO ILE | n/a | n/a |
31 | 1O4R | ic50 = 3.9 mM | 787 | C7 H10 O6 P2 | c1ccc(cc1).... |
32 | 1O46 | ic50 = 10 nM | 903 | C35 H36 F N3 O9 | CC(=O)N[C@.... |
33 | 1NZL | Kd = 0.07 uM | PRO GLN PTR GLU PTR ILE PRO ALA | n/a | n/a |
34 | 1O4M | ic50 > 40 mM | MLA | C3 H4 O4 | C(C(=O)O)C.... |
35 | 1O4F | ic50 = 0.3 mM | 790 | C9 H12 N O4 P | c1cc2c(c(c.... |
36 | 1O42 | ic50 = 9 nM | 843 | C30 H34 N3 O7 P | CC(=O)N[C@.... |
37 | 1LKL | Kd = 1540 nM | ACE PTR GLU GLU GLY | n/a | n/a |
38 | 1FBZ | - | CC1 | C30 H41 N3 O10 P2 | CC(=O)N[C@.... |
39 | 1IJR | - | CC0 | C29 H38 N3 O10 P | C[C@@H](c1.... |
40 | 1CWE | - | ACE GLN PM3 GLU GLU ILE PRO | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3S9K | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 3IMJ | Ka = 2100000 M^-1 | AYI | C22 H32 N5 O9 P | CC[C@H](C).... |
3 | 3IN8 | Ka = 400000 M^-1 | FYI | C22 H34 N5 O9 P | CC[C@H](C).... |
4 | 1BMB | ic50 = 0.7 uM | LYS PRO PHE PTR VAL ASN VAL GLU PHE | n/a | n/a |
5 | 3KFJ | Ka = 300000 M^-1 | YEN | C21 H30 N5 O11 P | CNC(=O)C[C.... |
6 | 6WM1 | Ka = 26000000 M^-1 | ACE PTR 02K ASN PRA | n/a | n/a |
7 | 6WO2 | Ka = 16000000 M^-1 | ACE PTR 02K ASN U67 | n/a | n/a |
8 | 1FYR | ic50 = 2.4 uM | ACE PTR VAL ASN VAL | n/a | n/a |
9 | 3S8L | Ka = 430000 M^-1 | ACE PTR 192 ASN NH2 | n/a | n/a |
10 | 3IN7 | Ka = 1200000 M^-1 | AYQ | C21 H29 N6 O10 P | CNC(=O)[C@.... |
11 | 4P9V | Kd = 0.154 uM | PHQ PTR 02K ASN NH2 | n/a | n/a |
12 | 3OVE | Ka = 3700000 M^-1 | ACT PTR 03E ASN NH2 | n/a | n/a |
13 | 1BM2 | ic50 = 0.11 uM | ACE SLZ PTR VAL ASN VAL PRO | n/a | n/a |
14 | 4P9Z | Kd = 87.7 nM | NMI PTR 02K ASN NH2 | n/a | n/a |
15 | 3OV1 | Ka = 160000 M^-1 | ACT PTR 1AC ASN NH2 | n/a | n/a |
16 | 2HUW | Ka = 1000000 M^-1 | YVN | C21 H30 N5 O9 P | CC(C)[C@@H.... |
17 | 3N8M | Ka = 6500000 M^-1 | 6NA PTR VAL ASN VAL 9PR | n/a | n/a |
18 | 3S8N | Ka = 1610000 M^-1 | ACE PTR AC5 ASN NH2 | n/a | n/a |
19 | 3IMD | Ka = 560000 M^-1 | FYQ | C21 H31 N6 O10 P | CNC(=O)C[C.... |
20 | 3N84 | - | PTR VAL ASN VAL PRO 011 | n/a | n/a |
21 | 1A1B | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
22 | 1NZV | Kd = 0.4 uM | PRO GLN PTR ILE PTR VAL PRO ALA | n/a | n/a |
23 | 1O4L | ic50 > 40 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
24 | 1SHA | - | PTR VAL PRO MET LEU | n/a | n/a |
25 | 1F1W | - | SER PTR VAL ASN VAL GLN ASN | n/a | n/a |
26 | 1O4P | ic50 = 2.5 mM | 791 | C9 H8 O4 | c1ccc(cc1).... |
27 | 1O49 | ic50 = 437 nM | 493 | C32 H36 N3 O9 P | CC(=O)N[C@.... |
28 | 1O47 | ic50 = 4 nM | 822 | C31 H34 F2 N3 O6 P | CC(=O)N[C@.... |
29 | 1A1A | - | ACE PTH GLU DIP | n/a | n/a |
30 | 1SHB | - | PTR LEU ARG VAL ALA | n/a | n/a |
31 | 1O4B | ic50 = 2000 nM | 876 | C30 H35 N3 O9 P2 | CC(=O)N[C@.... |
32 | 1IS0 | Kd = 0.1 uM | AY0 GLU GLU ILE | n/a | n/a |
33 | 1A1E | Kd = 1 uM | ACE PTR GLU DIY | n/a | n/a |
34 | 4F5B | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
35 | 1O4J | ic50 = 4.4 mM | IS2 | C9 H12 N O4 P | CCc1ccc(cc.... |
36 | 1BKM | - | 1C5 | C26 H39 N4 O10 P | CC(=O)N[C@.... |
37 | 1O4Q | ic50 = 3.2 mM | 256 | C8 H8 O5 S | c1ccc(cc1).... |
38 | 1SKJ | ic50 = 7 uM | UR2 | C25 H38 N3 O10 P | CN(CCCC1CC.... |
39 | 1A1C | Kd = 0.4 uM | ACE PTR GLU DIX | n/a | n/a |
40 | 1O4H | ic50 = 3.6 mM | 772 | C10 H7 N2 O4 P | c1cc2ccc(n.... |
41 | 1P13 | - | CYS ASP PTR ALA ASN PHE LYS | n/a | n/a |
42 | 1KC2 | Kd = 0.21 uM | PRO GLN PTR GLU GLU ILE PRO ILE | n/a | n/a |
43 | 1O4R | ic50 = 3.9 mM | 787 | C7 H10 O6 P2 | c1ccc(cc1).... |
44 | 1O46 | ic50 = 10 nM | 903 | C35 H36 F N3 O9 | CC(=O)N[C@.... |
45 | 1NZL | Kd = 0.07 uM | PRO GLN PTR GLU PTR ILE PRO ALA | n/a | n/a |
46 | 1O4M | ic50 > 40 mM | MLA | C3 H4 O4 | C(C(=O)O)C.... |
47 | 1O4F | ic50 = 0.3 mM | 790 | C9 H12 N O4 P | c1cc2c(c(c.... |
48 | 1O42 | ic50 = 9 nM | 843 | C30 H34 N3 O7 P | CC(=O)N[C@.... |
49 | 3MXY | Kd = 384.8 nM | GLN ASN GLY PTR VAL ASN PRO THR TYR | n/a | n/a |
50 | 3WA4 | - | SER ASP PTR MET ASN MET THR PRO | n/a | n/a |
51 | 3MXC | Kd = 286.1 nM | GLN ASN GLY PTR GLU ASN PRO THR TYR | n/a | n/a |
52 | 3N7Y | Ka = 10000000 M^-1 | PTR VAL ASN VAL 011 | n/a | n/a |
53 | 2AOB | - | S1S | C41 H46 N4 O10 | c1ccc2c(c1.... |
54 | 1JYR | Kd = 18 nM | ALA PRO SER PTR VAL ASN VAL GLN ASN | n/a | n/a |
55 | 1ZFP | ic50 = 26 nM | BE2 GLU PTR ILE ASN GLN NH2 | n/a | n/a |
56 | 2AOA | - | S1S | C41 H46 N4 O10 | c1ccc2c(c1.... |
57 | 1TZE | ic50 = 0.148 uM | LYS PRO PHE PTR VAL ASN VAL NH2 | n/a | n/a |
58 | 1CWD | - | PRO GLU GLY ASP PM3 GLU GLU VAL LEU | n/a | n/a |
59 | 1LKL | Kd = 1540 nM | ACE PTR GLU GLU GLY | n/a | n/a |
60 | 1FBZ | - | CC1 | C30 H41 N3 O10 P2 | CC(=O)N[C@.... |
61 | 1IJR | - | CC0 | C29 H38 N3 O10 P | C[C@@H](c1.... |
62 | 1CWE | - | ACE GLN PM3 GLU GLU ILE PRO | n/a | n/a |
63 | 5GJI | - | SER ASP PTR MET ASN MET THR PRO | n/a | n/a |
64 | 5GJH | - | SER ASP PTR MET ASN MET THR PRO | n/a | n/a |
65 | 1R1S | - | ACE PRO ASP PTR GLU ASN LEU | n/a | n/a |
66 | 1R1P | - | ACE ASP ASP PTR VAL ASN VAL | n/a | n/a |
67 | 1R1Q | - | ACE ARG GLU PTR VAL ASN VAL | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KJM | 0.9537 |
2 | 256 | 0.9531 |
3 | APG | 0.9399 |
4 | T2D | 0.9375 |
5 | NCT | 0.9360 |
6 | 9RW | 0.9278 |
7 | 8OZ | 0.9275 |
8 | 4WK | 0.9273 |
9 | 3CR | 0.9264 |
10 | 0OC | 0.9259 |
11 | 6XI | 0.9256 |
12 | S2T | 0.9244 |
13 | JF6 | 0.9224 |
14 | BCK | 0.9224 |
15 | 1XA | 0.9184 |
16 | G8M | 0.9178 |
17 | A9P | 0.9175 |
18 | GVG | 0.9172 |
19 | 2B4 | 0.9156 |
20 | CCB | 0.9153 |
21 | HIS | 0.9149 |
22 | QBS | 0.9130 |
23 | AVI | 0.9117 |
24 | 1Z8 | 0.9107 |
25 | CIT | 0.9106 |
26 | 9RH | 0.9105 |
27 | A9O | 0.9100 |
28 | A09 | 0.9094 |
29 | 173 | 0.9089 |
30 | HF2 | 0.9082 |
31 | FLC | 0.9080 |
32 | TRC | 0.9069 |
33 | B2Y | 0.9038 |
34 | 787 | 0.9029 |
35 | B09 | 0.9029 |
36 | GRO | 0.9027 |
37 | PPY | 0.9024 |
38 | 7A2 | 0.9022 |
39 | 269 | 0.9013 |
40 | HHH | 0.9012 |
41 | 87L | 0.8999 |
42 | TT4 | 0.8992 |
43 | GBN | 0.8990 |
44 | PHE | 0.8989 |
45 | 6W6 | 0.8987 |
46 | 3AL | 0.8987 |
47 | QUS | 0.8985 |
48 | HNL | 0.8981 |
49 | HDH | 0.8977 |
50 | 1WC | 0.8973 |
51 | DPN | 0.8968 |
52 | 7Q1 | 0.8957 |
53 | 52C | 0.8954 |
54 | X1E | 0.8947 |
55 | 4VY | 0.8946 |
56 | CDV | 0.8935 |
57 | RUY | 0.8934 |
58 | BNL | 0.8933 |
59 | JRB | 0.8932 |
60 | DC5 | 0.8931 |
61 | ICT | 0.8927 |
62 | 23J | 0.8927 |
63 | 8GL | 0.8924 |
64 | FEH | 0.8924 |
65 | NZ3 | 0.8923 |
66 | MNN | 0.8920 |
67 | SAF | 0.8919 |
68 | 2F6 | 0.8918 |
69 | J9Q | 0.8916 |
70 | NZ2 | 0.8906 |
71 | 46P | 0.8904 |
72 | 1FF | 0.8903 |
73 | Q02 | 0.8899 |
74 | F69 | 0.8898 |
75 | MXN | 0.8895 |
76 | L13 | 0.8895 |
77 | SKM | 0.8894 |
78 | 60Q | 0.8889 |
79 | 61O | 0.8885 |
80 | 7QS | 0.8883 |
81 | 2AL | 0.8882 |
82 | DHZ | 0.8881 |
83 | XQB | 0.8878 |
84 | MOK | 0.8876 |
85 | HFA | 0.8875 |
86 | SYM | 0.8874 |
87 | D1X | 0.8873 |
88 | BPY | 0.8863 |
89 | FA3 | 0.8863 |
90 | EDR | 0.8862 |
91 | 92K | 0.8858 |
92 | DOR | 0.8853 |
93 | 8WQ | 0.8852 |
94 | PTU | 0.8844 |
95 | 6R8 | 0.8842 |
96 | MPK | 0.8839 |
97 | KDF | 0.8837 |
98 | DQA | 0.8836 |
99 | TRA | 0.8833 |
100 | DNF | 0.8833 |
101 | 1DJ | 0.8831 |
102 | SHI | 0.8823 |
103 | MCO | 0.8821 |
104 | NFQ | 0.8820 |
105 | DYT | 0.8820 |
106 | XSP | 0.8818 |
107 | X8Z | 0.8817 |
108 | 5ZZ | 0.8816 |
109 | CH9 | 0.8816 |
110 | 1AL | 0.8814 |
111 | 2C0 | 0.8810 |
112 | S2P | 0.8805 |
113 | 0A9 | 0.8802 |
114 | Q03 | 0.8799 |
115 | 2PG | 0.8798 |
116 | XDE | 0.8794 |
117 | HNK | 0.8792 |
118 | NCD | 0.8792 |
119 | 7A3 | 0.8792 |
120 | K7M | 0.8790 |
121 | ASC | 0.8790 |
122 | 293 | 0.8787 |
123 | 7UZ | 0.8776 |
124 | 3MV | 0.8772 |
125 | 49O | 0.8770 |
126 | FHC | 0.8768 |
127 | 5QY | 0.8768 |
128 | FF3 | 0.8766 |
129 | QIC | 0.8762 |
130 | XDK | 0.8760 |
131 | TIH | 0.8759 |
132 | KDG | 0.8758 |
133 | TYR | 0.8757 |
134 | HNH | 0.8754 |
135 | SV4 | 0.8754 |
136 | L5V | 0.8748 |
137 | AMQ | 0.8746 |
138 | GZQ | 0.8746 |
139 | DAL DAL | 0.8743 |
140 | 2CG | 0.8738 |
141 | BPS | 0.8734 |
142 | ISZ | 0.8733 |
143 | 4PN | 0.8729 |
144 | MLE | 0.8728 |
145 | 5VL | 0.8727 |
146 | J9T | 0.8726 |
147 | ATH | 0.8725 |
148 | 27L | 0.8723 |
149 | B3U | 0.8721 |
150 | HQJ | 0.8720 |
151 | A13 | 0.8720 |
152 | 0GY | 0.8713 |
153 | KTJ | 0.8708 |
154 | M5E | 0.8702 |
155 | ALA PRO | 0.8701 |
156 | PRZ | 0.8699 |
157 | AKG | 0.8690 |
158 | HCI | 0.8688 |
159 | NLQ | 0.8682 |
160 | NTC | 0.8681 |
161 | CFI | 0.8679 |
162 | OTR | 0.8676 |
163 | JZA | 0.8676 |
164 | ALA LEU | 0.8674 |
165 | DHI | 0.8669 |
166 | 069 | 0.8667 |
167 | PIM | 0.8666 |
168 | 3MF | 0.8666 |
169 | GTC | 0.8664 |
170 | 2D8 | 0.8658 |
171 | DTY | 0.8657 |
172 | URQ | 0.8655 |
173 | EKN | 0.8650 |
174 | DGL | 0.8647 |
175 | 6J9 | 0.8643 |
176 | SLY | 0.8642 |
177 | RNT | 0.8640 |
178 | GCO | 0.8637 |
179 | 6HX | 0.8634 |
180 | BP3 | 0.8631 |
181 | 4ME | 0.8630 |
182 | B4O | 0.8630 |
183 | 3PG | 0.8628 |
184 | ONL | 0.8622 |
185 | F31 | 0.8620 |
186 | I1E | 0.8619 |
187 | SC2 | 0.8612 |
188 | 97T | 0.8609 |
189 | 53C | 0.8590 |
190 | GTR | 0.8589 |
191 | LNR | 0.8584 |
192 | K80 | 0.8578 |
193 | 3YQ | 0.8567 |
194 | ISD | 0.8565 |
195 | AX3 | 0.8558 |
196 | EN1 | 0.8556 |
197 | SER PRO | 0.8553 |
198 | 5UK | 0.8546 |
199 | AS3 | 0.8530 |
200 | CTN | 0.8527 |
201 | WOE | 0.8527 |
202 | 2IT | 0.8524 |
203 | EEL | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 1o44.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |