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- 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 9 families. | |||||
1 | 1Z35 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
2 | 1Z34 | ic50 = 0.42 mM | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
3 | 1Z38 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
4 | 1PR1 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
5 | 1OUM | - | TAL | C12 H16 N4 O4 | Cc1c2c(ncn.... |
6 | 1PR2 | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
7 | 1PR5 | Ki = 120 uM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
8 | 1PKE | - | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
9 | 1PR6 | - | XYA | C10 H13 N5 O4 | c1nc(c2c(n.... |
10 | 1PR0 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
11 | 1PK9 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
12 | 1OV6 | - | DBM | C12 H16 N4 O4 | Cc1c2c(ncn.... |
13 | 1PR4 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
14 | 1PK7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
15 | 1OVG | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
16 | 1OU4 | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
17 | 1OTY | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
18 | 3UT6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
19 | 1PW7 | - | RAB | C10 H13 N5 O4 | c1nc(c2c(n.... |
20 | 1K9S | - | FM2 | C11 H16 N5 O4 | C[n+]1cnc2.... |
21 | 1A69 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
22 | 1VHW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
23 | 5MX4 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 5MX6 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
25 | 5MX8 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 6F4X | Kd = 10.7 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
27 | 6F4W | Kd = 2.95 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
28 | 2AC7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
29 | 3UAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
30 | 3UAY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
31 | 3UAX | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
32 | 3UAW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
33 | 4DAO | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
34 | 4DA6 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
35 | 4DA7 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
36 | 4DAE | - | 6CR | C10 H12 Cl N5 O4 | c1nc2c(n1[.... |
37 | 4D9H | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
38 | 4D8V | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
39 | 4DAB | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1Z35 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
2 | 1Z34 | ic50 = 0.42 mM | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
3 | 1Z38 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
4 | 1PR1 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
5 | 1OUM | - | TAL | C12 H16 N4 O4 | Cc1c2c(ncn.... |
6 | 1PR2 | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
7 | 1PR5 | Ki = 120 uM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
8 | 1PKE | - | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
9 | 1PR6 | - | XYA | C10 H13 N5 O4 | c1nc(c2c(n.... |
10 | 1PR0 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
11 | 1PK9 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
12 | 1OV6 | - | DBM | C12 H16 N4 O4 | Cc1c2c(ncn.... |
13 | 1PR4 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
14 | 1PK7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
15 | 1OVG | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
16 | 1OU4 | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
17 | 1OTY | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
18 | 3UT6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
19 | 1PW7 | - | RAB | C10 H13 N5 O4 | c1nc(c2c(n.... |
20 | 1K9S | - | FM2 | C11 H16 N5 O4 | C[n+]1cnc2.... |
21 | 1A69 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
22 | 1VHW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
23 | 5MX4 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 5MX6 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
25 | 5MX8 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 6F4X | Kd = 10.7 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
27 | 6F4W | Kd = 2.95 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
28 | 1JDT | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
29 | 1JE1 | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
30 | 1JDZ | - | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
31 | 2AC7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
32 | 3UAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
33 | 3UAY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
34 | 3UAX | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
35 | 3UAW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
36 | 1ODI | Kd = 62 uM | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
37 | 1ODJ | Kd = 80 uM | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
38 | 4DAO | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
39 | 4DA6 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
40 | 4DA7 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
41 | 4DAE | - | 6CR | C10 H12 Cl N5 O4 | c1nc2c(n1[.... |
42 | 4D9H | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
43 | 4D8V | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
44 | 4DAB | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
45 | 3U40 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2FD | 1 | 1 |
2 | CL9 | 0.676923 | 0.971014 |
3 | 3D1 | 0.590909 | 0.926471 |
4 | 3L1 | 0.590909 | 0.926471 |
5 | 2FA | 0.58209 | 0.914286 |
6 | MDR | 0.486111 | 0.869565 |
7 | 5F1 | 0.486111 | 0.882353 |
8 | HF7 | 0.460674 | 0.794872 |
9 | DA | 0.45 | 0.802632 |
10 | D5M | 0.45 | 0.802632 |
11 | EXX | 0.444444 | 0.842857 |
12 | HFD | 0.431818 | 0.797468 |
13 | JSQ | 0.431818 | 0.797468 |
14 | DAT | 0.430233 | 0.805195 |
15 | AS | 0.426829 | 0.7625 |
16 | 6OG | 0.418605 | 0.753086 |
17 | AVV | 0.414894 | 0.846154 |
18 | DTP | 0.411111 | 0.805195 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GNG | 0.9995 |
2 | GMP | 0.9768 |
3 | 6CR | 0.9717 |
4 | ADN | 0.9677 |
5 | 8HG | 0.9662 |
6 | FMC | 0.9658 |
7 | FMB | 0.9653 |
8 | GA2 | 0.9617 |
9 | NOS | 0.9572 |
10 | FM1 | 0.9567 |
11 | TBN | 0.9565 |
12 | 1DA | 0.9551 |
13 | XYA | 0.9533 |
14 | HPR | 0.9519 |
15 | THM | 0.9516 |
16 | RAB | 0.9506 |
17 | 5AD | 0.9501 |
18 | PRH | 0.9496 |
19 | IMH | 0.9494 |
20 | TAL | 0.9493 |
21 | CDY | 0.9463 |
22 | XTS | 0.9457 |
23 | 0DN | 0.9448 |
24 | 4UO | 0.9448 |
25 | A | 0.9429 |
26 | 5BT | 0.9399 |
27 | PUR | 0.9376 |
28 | CFE | 0.9375 |
29 | FM2 | 0.9365 |
30 | MG7 | 0.9365 |
31 | MTA | 0.9359 |
32 | MTP | 0.9331 |
33 | 5MD | 0.9328 |
34 | DBM | 0.9318 |
35 | H7S | 0.9318 |
36 | DCF | 0.9306 |
37 | 3BH | 0.9297 |
38 | FTU | 0.9277 |
39 | 13A | 0.9273 |
40 | AC2 | 0.9269 |
41 | 8OX | 0.9269 |
42 | 5ID | 0.9269 |
43 | 5N5 | 0.9267 |
44 | 5NB | 0.9260 |
45 | 3AD | 0.9258 |
46 | 5CD | 0.9253 |
47 | A4D | 0.9250 |
48 | B86 | 0.9249 |
49 | EKH | 0.9242 |
50 | PE2 | 0.9235 |
51 | NWW | 0.9230 |
52 | MTM | 0.9226 |
53 | CTE | 0.9218 |
54 | UA2 | 0.9208 |
55 | 6MD | 0.9191 |
56 | LLT | 0.9169 |
57 | 5UD | 0.9169 |
58 | 9DI | 0.9155 |
59 | 5FD | 0.9153 |
60 | IMG | 0.9152 |
61 | MTH | 0.9143 |
62 | AOJ | 0.9139 |
63 | DUR | 0.9129 |
64 | MTI | 0.9093 |
65 | RPP | 0.9091 |
66 | X2M | 0.9053 |
67 | 3DT | 0.9048 |
68 | DTE | 0.9044 |
69 | BC3 | 0.9043 |
70 | HBI | 0.9032 |
71 | ZYV | 0.9030 |
72 | TRP | 0.9027 |
73 | CC5 | 0.9026 |
74 | IM5 | 0.9025 |
75 | KF5 | 0.9012 |
76 | DNB | 0.9007 |
77 | NEO | 0.9005 |
78 | ARJ | 0.8998 |
79 | NOC | 0.8998 |
80 | 8DA | 0.8990 |
81 | BIO | 0.8989 |
82 | BVD | 0.8978 |
83 | 2L2 | 0.8975 |
84 | 5I5 | 0.8974 |
85 | SGP | 0.8968 |
86 | 2UD | 0.8955 |
87 | NIY | 0.8954 |
88 | ACE TRP | 0.8950 |
89 | Y3J | 0.8943 |
90 | 9UL | 0.8942 |
91 | 78U | 0.8941 |
92 | 4GU | 0.8939 |
93 | NWD | 0.8936 |
94 | B5A | 0.8935 |
95 | 885 | 0.8931 |
96 | MPU | 0.8930 |
97 | ZSP | 0.8918 |
98 | ML1 | 0.8917 |
99 | 3IL | 0.8911 |
100 | 2DL | 0.8907 |
101 | 96Z | 0.8902 |
102 | NEU | 0.8900 |
103 | 5JT | 0.8891 |
104 | PVQ | 0.8889 |
105 | 22L | 0.8886 |
106 | 0J4 | 0.8877 |
107 | H2B | 0.8873 |
108 | 88R | 0.8864 |
109 | BB4 | 0.8860 |
110 | 3Y7 | 0.8857 |
111 | RE4 | 0.8857 |
112 | CMU | 0.8846 |
113 | ETV | 0.8845 |
114 | PVK | 0.8843 |
115 | OUB | 0.8843 |
116 | 92O | 0.8839 |
117 | CGW | 0.8837 |
118 | Z8B | 0.8837 |
119 | KWB | 0.8830 |
120 | A4G | 0.8828 |
121 | JAK | 0.8825 |
122 | C4E | 0.8821 |
123 | G6P | 0.8820 |
124 | EXG | 0.8819 |
125 | DTR | 0.8816 |
126 | ITW | 0.8813 |
127 | 2K8 | 0.8809 |
128 | NWQ | 0.8809 |
129 | 38B | 0.8804 |
130 | C1Y | 0.8803 |
131 | 7AP | 0.8803 |
132 | ZJB | 0.8802 |
133 | X0T | 0.8800 |
134 | EXL | 0.8799 |
135 | 1KX | 0.8794 |
136 | ZIQ | 0.8792 |
137 | 4Z9 | 0.8788 |
138 | ALN | 0.8775 |
139 | EXR | 0.8767 |
140 | 0GA | 0.8767 |
141 | DIH | 0.8765 |
142 | TDI | 0.8755 |
143 | JO5 | 0.8754 |
144 | 3D8 | 0.8753 |
145 | QMS | 0.8753 |
146 | 9E3 | 0.8747 |
147 | APS | 0.8745 |
148 | CPW | 0.8743 |
149 | UL1 | 0.8739 |
150 | 4R1 | 0.8737 |
151 | B52 | 0.8733 |
152 | 1Q4 | 0.8733 |
153 | ASE | 0.8730 |
154 | BHS | 0.8729 |
155 | 5P7 | 0.8726 |
156 | 56N | 0.8725 |
157 | ARP | 0.8724 |
158 | 4AB | 0.8719 |
159 | M3Q | 0.8714 |
160 | FWD | 0.8713 |
161 | 145 | 0.8712 |
162 | 94M | 0.8708 |
163 | M5H | 0.8708 |
164 | THU | 0.8705 |
165 | CCV | 0.8700 |
166 | 2KU | 0.8694 |
167 | CWD | 0.8689 |
168 | BDJ | 0.8686 |
169 | 39Z | 0.8681 |
170 | BG6 | 0.8678 |
171 | BWD | 0.8651 |
172 | IOS | 0.8650 |
173 | 0FR | 0.8648 |
174 | B61 | 0.8643 |
175 | 7ZC | 0.8643 |
176 | CG8 | 0.8643 |
177 | ONZ | 0.8641 |
178 | JA3 | 0.8640 |
179 | 5WN | 0.8637 |
180 | SY4 | 0.8631 |
181 | ZON | 0.8629 |
182 | IAC | 0.8622 |
183 | B4L | 0.8612 |
184 | CKI | 0.8611 |
185 | RVD | 0.8611 |
186 | 9B3 | 0.8610 |
187 | MYI | 0.8609 |
188 | IWD | 0.8606 |
189 | MQB | 0.8583 |
190 | M6D | 0.8580 |
191 | 2SX | 0.8578 |
192 | I2E | 0.8566 |
193 | RGG | 0.8548 |
194 | 7NU | 0.8545 |
195 | ET0 | 0.8542 |
196 | IOP | 0.8537 |
197 | A1Y | 0.8533 |
198 | PW1 | 0.8531 |
199 | VJJ | 0.8523 |
200 | C4F | 0.8521 |
201 | SX3 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 1z34.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1z34.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4TXJ | THM | 15.3191 |
This union binding pocket(no: 3) in the query (biounit: 1z34.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1z34.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1z34.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1z34.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |