- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 3 families. | |||||
1 | 1KRM | - | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
2 | 1QXL | Ki = 11 nM | FR8 | C27 H31 N5 O3 | c1ccc(cc1).... |
3 | 1UML | Ki = 30 nM | FR4 | C25 H27 N5 O3 | c1ccc(cc1).... |
4 | 2E1W | Ki = 11 nM | FR6 | C19 H21 N3 O2 | C[C@@H]([C.... |
5 | 1WXY | - | FRK | C21 H22 N2 O3 S | CCCCCC(=O).... |
6 | 1NDV | Ki = 1.2 uM | FR0 | C16 H15 N7 S2 | c1ccc2c(c1.... |
7 | 1NDY | Ki = 0.68 uM | FR3 | C18 H19 N3 O2 | c1ccc2c(c1.... |
8 | 1O5R | Ki = 7.5 nM | FR9 | C24 H26 N6 O3 | c1ccc(cc1).... |
9 | 1NDW | Ki = 5.9 uM | FR2 | C14 H17 N3 O2 | c1ccc(cc1).... |
10 | 1V79 | Ki = 13 nM | FR7 | C15 H17 Cl2 N3 O2 | C[C@@H]([C.... |
11 | 1V7A | Ki = 9.8 nM | FRC | C19 H21 N3 O3 | C[C@@H]([C.... |
12 | 1NDZ | Ki = 7.7 nM | FR5 | C27 H29 N7 O3 | Cn1c2ccccc.... |
13 | 2ADA | Ki ~ 0.1 pM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
14 | 1FKW | Ki = 9 uM | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
15 | 1UIO | Ki = 45 uM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
16 | 1ADD | Ki = 0.18 uM | 1DA | C11 H14 N4 O4 | c1cnc2c(c1.... |
17 | 1UIP | - | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
18 | 1A4M | Ki ~ 0.1 pM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
19 | 1FKX | Ki = 6 mM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1KRM | - | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
2 | 1QXL | Ki = 11 nM | FR8 | C27 H31 N5 O3 | c1ccc(cc1).... |
3 | 1UML | Ki = 30 nM | FR4 | C25 H27 N5 O3 | c1ccc(cc1).... |
4 | 2E1W | Ki = 11 nM | FR6 | C19 H21 N3 O2 | C[C@@H]([C.... |
5 | 1WXY | - | FRK | C21 H22 N2 O3 S | CCCCCC(=O).... |
6 | 1NDV | Ki = 1.2 uM | FR0 | C16 H15 N7 S2 | c1ccc2c(c1.... |
7 | 1NDY | Ki = 0.68 uM | FR3 | C18 H19 N3 O2 | c1ccc2c(c1.... |
8 | 1O5R | Ki = 7.5 nM | FR9 | C24 H26 N6 O3 | c1ccc(cc1).... |
9 | 1NDW | Ki = 5.9 uM | FR2 | C14 H17 N3 O2 | c1ccc(cc1).... |
10 | 1V79 | Ki = 13 nM | FR7 | C15 H17 Cl2 N3 O2 | C[C@@H]([C.... |
11 | 1V7A | Ki = 9.8 nM | FRC | C19 H21 N3 O3 | C[C@@H]([C.... |
12 | 1NDZ | Ki = 7.7 nM | FR5 | C27 H29 N7 O3 | Cn1c2ccccc.... |
13 | 2ADA | Ki ~ 0.1 pM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
14 | 1FKW | Ki = 9 uM | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
15 | 1UIO | Ki = 45 uM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
16 | 1ADD | Ki = 0.18 uM | 1DA | C11 H14 N4 O4 | c1cnc2c(c1.... |
17 | 1UIP | - | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
18 | 1A4M | Ki ~ 0.1 pM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
19 | 1FKX | Ki = 6 mM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HPR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PRH | 1.0000 |
2 | ADN | 0.9896 |
3 | 1DA | 0.9843 |
4 | NOS | 0.9769 |
5 | PUR | 0.9759 |
6 | 5FD | 0.9736 |
7 | 5AD | 0.9721 |
8 | 5N5 | 0.9716 |
9 | 9DI | 0.9712 |
10 | FMC | 0.9711 |
11 | FMB | 0.9710 |
12 | TBN | 0.9709 |
13 | 5CD | 0.9704 |
14 | A4D | 0.9697 |
15 | CFE | 0.9682 |
16 | A | 0.9673 |
17 | 5F1 | 0.9653 |
18 | 3D1 | 0.9648 |
19 | DBM | 0.9638 |
20 | MDR | 0.9633 |
21 | IMH | 0.9616 |
22 | UA2 | 0.9616 |
23 | NWW | 0.9610 |
24 | MTA | 0.9608 |
25 | 5ID | 0.9592 |
26 | GMP | 0.9577 |
27 | FTU | 0.9575 |
28 | XYA | 0.9568 |
29 | 8OX | 0.9566 |
30 | 3AD | 0.9563 |
31 | EKH | 0.9559 |
32 | RPP | 0.9553 |
33 | MTP | 0.9552 |
34 | 2FA | 0.9535 |
35 | AD3 | 0.9531 |
36 | CL9 | 0.9529 |
37 | 2FD | 0.9519 |
38 | TAL | 0.9512 |
39 | 4UO | 0.9501 |
40 | DCF | 0.9497 |
41 | F01 | 0.9484 |
42 | NOC | 0.9483 |
43 | ARJ | 0.9483 |
44 | FM2 | 0.9482 |
45 | 6MD | 0.9480 |
46 | THM | 0.9463 |
47 | Y3J | 0.9458 |
48 | MTH | 0.9456 |
49 | 7D7 | 0.9440 |
50 | GNG | 0.9438 |
51 | MTM | 0.9436 |
52 | RAB | 0.9435 |
53 | 5NB | 0.9431 |
54 | MTI | 0.9415 |
55 | 3BH | 0.9414 |
56 | CTN | 0.9400 |
57 | MG7 | 0.9399 |
58 | URI | 0.9386 |
59 | 5UD | 0.9382 |
60 | FM1 | 0.9367 |
61 | AFX | 0.9345 |
62 | RFZ | 0.9343 |
63 | NWQ | 0.9341 |
64 | 5I5 | 0.9329 |
65 | CDY | 0.9299 |
66 | 5BT | 0.9290 |
67 | MCF | 0.9286 |
68 | IMG | 0.9283 |
69 | 0DN | 0.9280 |
70 | 26A | 0.9265 |
71 | 5MD | 0.9257 |
72 | RBV | 0.9250 |
73 | H7S | 0.9248 |
74 | NNR | 0.9230 |
75 | 3DT | 0.9221 |
76 | CC5 | 0.9207 |
77 | TIZ | 0.9201 |
78 | MCY | 0.9198 |
79 | I5A | 0.9180 |
80 | ZAS | 0.9171 |
81 | 2TU | 0.9171 |
82 | 5AE | 0.9171 |
83 | HO4 | 0.9169 |
84 | DCZ | 0.9160 |
85 | MZR | 0.9159 |
86 | THU | 0.9155 |
87 | B86 | 0.9155 |
88 | 13A | 0.9154 |
89 | 3L1 | 0.9121 |
90 | 7CI | 0.9110 |
91 | 8HG | 0.9097 |
92 | SCT | 0.9095 |
93 | XTS | 0.9094 |
94 | ZEB | 0.9084 |
95 | TO1 | 0.9081 |
96 | TMC | 0.9068 |
97 | 92O | 0.9060 |
98 | NEC | 0.9043 |
99 | NIR | 0.9042 |
100 | AHU | 0.9021 |
101 | KF5 | 0.9005 |
102 | P2L | 0.9003 |
103 | X2M | 0.9002 |
104 | TIA | 0.8997 |
105 | 3DH | 0.8995 |
106 | DNB | 0.8992 |
107 | NQ7 | 0.8987 |
108 | EXX | 0.8983 |
109 | WCU | 0.8975 |
110 | 4GU | 0.8973 |
111 | RVD | 0.8973 |
112 | NEO | 0.8965 |
113 | H4B | 0.8951 |
114 | ACE TRP | 0.8949 |
115 | XYP XYS | 0.8946 |
116 | EXG | 0.8935 |
117 | 1Q4 | 0.8923 |
118 | TRP | 0.8922 |
119 | ZYV | 0.8916 |
120 | SP1 | 0.8915 |
121 | 28A | 0.8913 |
122 | HBI | 0.8901 |
123 | RP1 | 0.8897 |
124 | CMP | 0.8895 |
125 | DBS | 0.8887 |
126 | Z8B | 0.8881 |
127 | QQY | 0.8880 |
128 | PIR | 0.8877 |
129 | QQX | 0.8876 |
130 | 1SF | 0.8875 |
131 | 9UL | 0.8874 |
132 | XYP XYP | 0.8873 |
133 | AMP | 0.8871 |
134 | C0H | 0.8862 |
135 | 5JT | 0.8859 |
136 | 1FL | 0.8856 |
137 | EAT | 0.8855 |
138 | CTE | 0.8853 |
139 | 0GA | 0.8848 |
140 | 092 | 0.8845 |
141 | ITW | 0.8841 |
142 | XYP AHR | 0.8837 |
143 | C4E | 0.8834 |
144 | DTE | 0.8831 |
145 | A3N | 0.8830 |
146 | ACK | 0.8829 |
147 | NEU | 0.8824 |
148 | ZIQ | 0.8821 |
149 | NXB | 0.8821 |
150 | TR7 | 0.8820 |
151 | 1KN | 0.8820 |
152 | GPK | 0.8813 |
153 | 4AB | 0.8810 |
154 | W29 | 0.8809 |
155 | XYS XYS | 0.8804 |
156 | K80 | 0.8804 |
157 | CX5 | 0.8801 |
158 | SGV | 0.8800 |
159 | M5H | 0.8795 |
160 | 4K2 | 0.8794 |
161 | XYS XYP | 0.8793 |
162 | 4OG | 0.8786 |
163 | 8DA | 0.8784 |
164 | M02 | 0.8781 |
165 | H2B | 0.8779 |
166 | Z15 | 0.8776 |
167 | XYP XDN | 0.8776 |
168 | DTR | 0.8773 |
169 | 5BX | 0.8772 |
170 | 833 | 0.8770 |
171 | 6J3 | 0.8763 |
172 | MXD | 0.8761 |
173 | 0SY | 0.8756 |
174 | EXL | 0.8755 |
175 | M01 | 0.8750 |
176 | C2M | 0.8748 |
177 | 2L2 | 0.8748 |
178 | GA2 | 0.8746 |
179 | 2L1 | 0.8745 |
180 | LTN | 0.8744 |
181 | ZJB | 0.8742 |
182 | 7ZL | 0.8741 |
183 | XIF XYP | 0.8740 |
184 | JA3 | 0.8734 |
185 | XYP XIF | 0.8729 |
186 | S0G | 0.8728 |
187 | 6SX | 0.8728 |
188 | DK4 | 0.8723 |
189 | Z57 | 0.8719 |
190 | HVE | 0.8713 |
191 | SGP | 0.8712 |
192 | AOJ | 0.8709 |
193 | 1ZC | 0.8705 |
194 | RVC | 0.8701 |
195 | JMQ | 0.8701 |
196 | QME | 0.8700 |
197 | VCE | 0.8700 |
198 | W23 | 0.8699 |
199 | RVB | 0.8696 |
200 | 0QV | 0.8691 |
201 | MPU | 0.8690 |
202 | A4G | 0.8690 |
203 | IMP | 0.8689 |
204 | ID8 | 0.8685 |
205 | 2GD | 0.8683 |
206 | 9CE | 0.8682 |
207 | AVX | 0.8682 |
208 | 6ZW | 0.8682 |
209 | XDN XYP | 0.8680 |
210 | A4V | 0.8680 |
211 | VBC | 0.8676 |
212 | BIO | 0.8675 |
213 | ZSP | 0.8674 |
214 | 3D8 | 0.8672 |
215 | 0OK | 0.8669 |
216 | 78U | 0.8669 |
217 | EZN | 0.8668 |
218 | 0FR | 0.8666 |
219 | NIY | 0.8666 |
220 | 5E5 | 0.8663 |
221 | 3IP | 0.8663 |
222 | FHI | 0.8659 |
223 | 848 | 0.8658 |
224 | NE1 | 0.8658 |
225 | XDL XYP | 0.8657 |
226 | GPQ | 0.8656 |
227 | XIL | 0.8654 |
228 | ZEZ | 0.8653 |
229 | 5E4 | 0.8652 |
230 | FY8 | 0.8649 |
231 | DKZ | 0.8648 |
232 | LVY | 0.8642 |
233 | CJZ | 0.8633 |
234 | KYN | 0.8632 |
235 | GPU | 0.8627 |
236 | CJB | 0.8627 |
237 | ZMG | 0.8622 |
238 | 3RP | 0.8618 |
239 | DKX | 0.8617 |
240 | BHS | 0.8616 |
241 | X29 | 0.8616 |
242 | 2QU | 0.8615 |
243 | DXK | 0.8606 |
244 | 16Z | 0.8604 |
245 | AOC | 0.8598 |
246 | F40 | 0.8592 |
247 | N5O | 0.8592 |
248 | JF8 | 0.8591 |
249 | 7AP | 0.8584 |
250 | 69K | 0.8584 |
251 | TH4 | 0.8584 |
252 | H75 | 0.8580 |
253 | XCG | 0.8573 |
254 | 7CH | 0.8567 |
255 | OVE | 0.8566 |
256 | MQR | 0.8564 |
257 | WVV | 0.8562 |
258 | ZRK | 0.8555 |
259 | Q9T | 0.8541 |
260 | AUV | 0.8536 |
261 | D5M | 0.8532 |
262 | 2LT | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 2ada.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |