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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 101 families. | |||||
1 | 5HTB | Kd = 170 nM | ALA ARG LYS LYS GLN THR 66N 6L5 | n/a | n/a |
2 | 6G36 | Kd = 16.3 nM | EKH | C11 H13 Cl N4 O4 | c1c(c2c(nc.... |
3 | 3IQ7 | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
4 | 6G39 | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
5 | 6G37 | Kd = 42.7 nM | FTU | C11 H13 F N4 O4 | c1c(c2c(nc.... |
6 | 5HTC | Kd = 150 nM | ALA ARG LYS LYS GLN THR 66N 66M | n/a | n/a |
7 | 7AVQ | ic50 = 0.064 uM | S1Z | C17 H18 N6 O | CC[C@H](CO.... |
8 | 3DLZ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
9 | 4QTC | Kd = 0.297 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
10 | 6G35 | Kd = 17.5 nM | EKK | C11 H13 Br N4 O4 | c1c(c2c(nc.... |
11 | 6G34 | Kd = 5.7 nM | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
12 | 6G3A | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
13 | 6G38 | Kd = 239.2 nM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
14 | 2VUW | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 5HTB | Kd = 170 nM | ALA ARG LYS LYS GLN THR 66N 6L5 | n/a | n/a |
2 | 6G36 | Kd = 16.3 nM | EKH | C11 H13 Cl N4 O4 | c1c(c2c(nc.... |
3 | 3IQ7 | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
4 | 6G39 | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
5 | 6G37 | Kd = 42.7 nM | FTU | C11 H13 F N4 O4 | c1c(c2c(nc.... |
6 | 5HTC | Kd = 150 nM | ALA ARG LYS LYS GLN THR 66N 66M | n/a | n/a |
7 | 7AVQ | ic50 = 0.064 uM | S1Z | C17 H18 N6 O | CC[C@H](CO.... |
8 | 3DLZ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
9 | 4QTC | Kd = 0.297 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
10 | 6G35 | Kd = 17.5 nM | EKK | C11 H13 Br N4 O4 | c1c(c2c(nc.... |
11 | 6G34 | Kd = 5.7 nM | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
12 | 6G3A | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
13 | 6G38 | Kd = 239.2 nM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
14 | 2VUW | - | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FTU | 1 | 1 |
2 | 5ID | 0.622951 | 0.969231 |
3 | EKH | 0.622951 | 0.969231 |
4 | EKK | 0.612903 | 0.969231 |
5 | TO1 | 0.603175 | 0.909091 |
6 | HO4 | 0.59375 | 0.909091 |
7 | SGV | 0.584615 | 0.923077 |
8 | TBN | 0.447761 | 0.9375 |
9 | RAB | 0.447761 | 0.923077 |
10 | XYA | 0.447761 | 0.923077 |
11 | ADN | 0.447761 | 0.923077 |
12 | ZJB | 0.441558 | 0.821918 |
13 | 2FA | 0.422535 | 0.969697 |
14 | 5I5 | 0.4 | 0.833333 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NOS | 0.9730 |
2 | 1DA | 0.9728 |
3 | A | 0.9719 |
4 | AD3 | 0.9718 |
5 | 7CI | 0.9714 |
6 | 5AD | 0.9690 |
7 | A4D | 0.9676 |
8 | GMP | 0.9602 |
9 | RPP | 0.9584 |
10 | PRH | 0.9575 |
11 | HPR | 0.9575 |
12 | MTA | 0.9566 |
13 | UA2 | 0.9555 |
14 | IMH | 0.9554 |
15 | MDR | 0.9544 |
16 | MG7 | 0.9540 |
17 | CFE | 0.9532 |
18 | 9DI | 0.9529 |
19 | GNG | 0.9507 |
20 | 8OX | 0.9504 |
21 | 3D1 | 0.9504 |
22 | 6MD | 0.9499 |
23 | FMC | 0.9497 |
24 | 5N5 | 0.9495 |
25 | 4UO | 0.9495 |
26 | FMB | 0.9491 |
27 | MTP | 0.9490 |
28 | DBM | 0.9489 |
29 | 5FD | 0.9468 |
30 | 3AD | 0.9453 |
31 | SNI | 0.9448 |
32 | CL9 | 0.9437 |
33 | 3DT | 0.9433 |
34 | TAL | 0.9428 |
35 | F01 | 0.9424 |
36 | 5NB | 0.9407 |
37 | 26A | 0.9404 |
38 | PUR | 0.9402 |
39 | Y3J | 0.9397 |
40 | 3BH | 0.9382 |
41 | NWW | 0.9381 |
42 | 5UD | 0.9375 |
43 | FM2 | 0.9363 |
44 | 5CD | 0.9356 |
45 | 5F1 | 0.9303 |
46 | FM1 | 0.9300 |
47 | IMG | 0.9278 |
48 | 2FD | 0.9277 |
49 | CC5 | 0.9262 |
50 | THM | 0.9262 |
51 | ARJ | 0.9249 |
52 | NOC | 0.9249 |
53 | 13A | 0.9236 |
54 | MTH | 0.9226 |
55 | 7D7 | 0.9224 |
56 | CTN | 0.9208 |
57 | URI | 0.9188 |
58 | RFZ | 0.9181 |
59 | NNR | 0.9172 |
60 | 0DN | 0.9170 |
61 | UX0 | 0.9140 |
62 | MCY | 0.9135 |
63 | MTM | 0.9133 |
64 | DCF | 0.9111 |
65 | AFX | 0.9107 |
66 | MCF | 0.9099 |
67 | 8HG | 0.9089 |
68 | 3L1 | 0.9080 |
69 | ZYV | 0.9062 |
70 | MZR | 0.9059 |
71 | NWQ | 0.9053 |
72 | 5BT | 0.9052 |
73 | SCT | 0.9051 |
74 | B86 | 0.9036 |
75 | ZAS | 0.9030 |
76 | DUR | 0.9027 |
77 | 4P8 | 0.9019 |
78 | NEC | 0.9018 |
79 | ID2 | 0.9017 |
80 | H7S | 0.9015 |
81 | TIA | 0.9001 |
82 | I5A | 0.9001 |
83 | XYP AHR | 0.8995 |
84 | TMC | 0.8993 |
85 | XYP XYS | 0.8974 |
86 | CDY | 0.8972 |
87 | NIR | 0.8965 |
88 | 0GA | 0.8951 |
89 | 2TU | 0.8947 |
90 | 8DA | 0.8945 |
91 | DCZ | 0.8938 |
92 | 5AE | 0.8935 |
93 | RBV | 0.8928 |
94 | CMP | 0.8928 |
95 | 5JT | 0.8923 |
96 | 92O | 0.8923 |
97 | XTS | 0.8910 |
98 | A4V | 0.8908 |
99 | LLT | 0.8899 |
100 | M02 | 0.8890 |
101 | 5MD | 0.8884 |
102 | XYS XYS | 0.8878 |
103 | XYP XIF | 0.8871 |
104 | XIF XYP | 0.8871 |
105 | ACK | 0.8871 |
106 | KF5 | 0.8870 |
107 | QQY | 0.8855 |
108 | CTD | 0.8839 |
109 | XYS XYP | 0.8833 |
110 | QQX | 0.8826 |
111 | ACE TRP | 0.8820 |
112 | M01 | 0.8820 |
113 | BGC GLC | 0.8819 |
114 | 5P7 | 0.8816 |
115 | P2L | 0.8814 |
116 | GEO | 0.8814 |
117 | 9UL | 0.8813 |
118 | SA0 | 0.8813 |
119 | 1Q4 | 0.8809 |
120 | XYP XDN | 0.8806 |
121 | XDN XYP | 0.8806 |
122 | EXX | 0.8805 |
123 | CTE | 0.8804 |
124 | URD | 0.8804 |
125 | EP4 | 0.8804 |
126 | 3DH | 0.8804 |
127 | KL2 | 0.8798 |
128 | AMP | 0.8791 |
129 | AHU | 0.8789 |
130 | H4B | 0.8786 |
131 | ID8 | 0.8786 |
132 | 6J3 | 0.8782 |
133 | NEO | 0.8780 |
134 | VCE | 0.8777 |
135 | 8P3 | 0.8767 |
136 | PE2 | 0.8765 |
137 | 6J9 | 0.8761 |
138 | MPU | 0.8753 |
139 | TRP | 0.8748 |
140 | 6GR | 0.8747 |
141 | AC2 | 0.8744 |
142 | A4G | 0.8733 |
143 | 2L2 | 0.8733 |
144 | GA2 | 0.8733 |
145 | 3AK | 0.8727 |
146 | 3Y7 | 0.8717 |
147 | MXD | 0.8717 |
148 | 78P | 0.8715 |
149 | ZEZ | 0.8715 |
150 | AJD | 0.8709 |
151 | MBY | 0.8699 |
152 | SGP | 0.8694 |
153 | ZIQ | 0.8691 |
154 | ER6 | 0.8691 |
155 | Z8B | 0.8688 |
156 | XIL | 0.8679 |
157 | HVE | 0.8676 |
158 | JMQ | 0.8665 |
159 | RR7 GLC | 0.8662 |
160 | GLC IFM | 0.8660 |
161 | X2M | 0.8655 |
162 | XDL XYP | 0.8652 |
163 | IMQ | 0.8649 |
164 | NEU | 0.8641 |
165 | 3AM | 0.8638 |
166 | TLF | 0.8638 |
167 | IFM BMA | 0.8630 |
168 | IMP | 0.8628 |
169 | AOJ | 0.8628 |
170 | BRD | 0.8625 |
171 | EXG | 0.8624 |
172 | DTE | 0.8621 |
173 | DIH | 0.8620 |
174 | GAL FUC | 0.8618 |
175 | MAN IFM | 0.8616 |
176 | 2L1 | 0.8613 |
177 | SRA | 0.8604 |
178 | ITW | 0.8603 |
179 | BVD | 0.8601 |
180 | N5O | 0.8600 |
181 | WS6 | 0.8595 |
182 | 7D1 MAN | 0.8592 |
183 | Z15 | 0.8583 |
184 | Z2T | 0.8583 |
185 | HA6 | 0.8582 |
186 | IFM BGC | 0.8563 |
187 | A3N | 0.8563 |
188 | AGV | 0.8557 |
189 | B52 | 0.8552 |
190 | EXL | 0.8550 |
191 | GLC DMJ | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 6g34.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4OH4 | ANP | 2.2409 |
2 | 4UX9 | ANP | 4.48179 |
3 | 4CFU | 2WC | 4.62046 |
4 | 4CFU | 2WC | 4.62046 |
5 | 6GUE | FB8 | 4.63576 |
6 | 4BCN | T9N | 4.66667 |
7 | 4BCN | T9N | 4.66667 |
8 | 6FYV | 3NG | 5.63798 |
9 | 3SRV | S19 | 5.77617 |
10 | 3SRV | S19 | 5.77617 |
11 | 6G33 | 5ID | 6.16247 |
12 | 6G33 | 5ID | 6.16247 |
13 | 5X8I | SQZ | 6.16247 |
14 | 5LPB | ADP | 6.75676 |
15 | 2VN9 | GVD | 6.97674 |
16 | 2VN9 | GVD | 6.97674 |
17 | 5LI1 | ANP | 8.96359 |
18 | 1V0O | INR | 9.02778 |
19 | 1U5R | ATP | 9.52381 |
20 | 1U5R | ATP | 9.52381 |
21 | 1UNH | IXM | 10.9589 |
22 | 2ZV2 | 609 | 11.0738 |
23 | 1BYG | STU | 12.0448 |
24 | 2V7O | DRN | 12.7976 |
25 | 1O9U | ADZ | 14.2857 |
26 | 6JKM | ADP | 18.4751 |
27 | 6GU6 | 1QK | 29.6919 |
28 | 5HQ0 | LZ9 | 29.6919 |