- 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 | 2O3R | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
2 | 2O3U | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
3 | 2PGL | - | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
4 | 4OGW | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
5 | 3ROP | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
6 | 3DZG | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
7 | 2HCT | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
8 | 2I66 | - | G1R G1R | n/a | n/a |
9 | 2O3S | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
10 | 3DZI | - | RGT | C15 H25 N5 O21 P4 | c1nc2c(n1[.... |
11 | 2I67 | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
12 | 3DZK | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
13 | 3DZH | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
14 | 4TMF | - | JS2 | C14 H23 N5 O12 P2 | C1=Nc2c(nc.... |
15 | 2PGJ | ic50 = 0.26 mM | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
16 | 3DZJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
17 | 2O3Q | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
18 | 2O3T | - | CGR | C15 H23 N5 O14 P2 | C1[C@@H]2[.... |
19 | 2I65 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1ISI | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
2 | 1ISJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
3 | 1ISH | - | ENP | C17 H24 N5 O17 P3 | c1cn2cnc3c.... |
4 | 3I9L | - | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
5 | 1R15 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
6 | 3ZWO | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
7 | 3ZWN | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
8 | 3I9K | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 1R16 | - | PYF | C6 H7 N O | c1cc(cnc1).... |
10 | 3ZWM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
11 | 3I9J | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
12 | 4OGW | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
13 | 3ROP | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
14 | 3DZG | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
15 | 2HCT | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
16 | 2I66 | - | G1R G1R | n/a | n/a |
17 | 2O3S | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
18 | 3DZI | - | RGT | C15 H25 N5 O21 P4 | c1nc2c(n1[.... |
19 | 2I67 | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
20 | 3DZK | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
21 | 3DZH | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
22 | 4TMF | - | JS2 | C14 H23 N5 O12 P2 | C1=Nc2c(nc.... |
23 | 2PGJ | ic50 = 0.26 mM | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
24 | 3DZJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
25 | 2O3Q | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
26 | 2O3T | - | CGR | C15 H23 N5 O14 P2 | C1[C@@H]2[.... |
27 | 2I65 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NMN | 1 | 1 |
2 | NNR | 0.693548 | 0.818182 |
3 | NCN | 0.647887 | 0.892308 |
4 | A7R | 0.56383 | 0.863014 |
5 | NAD IBO | 0.524752 | 0.861111 |
6 | 8ID | 0.524752 | 0.807692 |
7 | NAD TDB | 0.524752 | 0.861111 |
8 | NGD | 0.514563 | 0.831169 |
9 | NHD | 0.509434 | 0.875 |
10 | NAD | 0.509434 | 0.875 |
11 | NAJ | 0.504762 | 0.875 |
12 | NDO | 0.491071 | 0.888889 |
13 | NAP | 0.486726 | 0.888889 |
14 | NFD | 0.486239 | 0.828947 |
15 | NBP | 0.465517 | 0.831169 |
16 | DND | 0.461538 | 0.851351 |
17 | A3D | 0.421053 | 0.863014 |
18 | N01 | 0.417391 | 0.849315 |
19 | AMP NAD | 0.415929 | 0.849315 |
20 | CH | 0.407407 | 0.849315 |
21 | NA0 | 0.404959 | 0.876712 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMP | 0.9419 |
2 | AMP | 0.9397 |
3 | RVP | 0.9374 |
4 | G | 0.9355 |
5 | CNU | 0.9351 |
6 | 5HM | 0.9278 |
7 | 5GP | 0.9252 |
8 | DU | 0.9234 |
9 | U5P | 0.9211 |
10 | TMP | 0.9201 |
11 | 5FU | 0.9200 |
12 | 5BU | 0.9196 |
13 | U | 0.9194 |
14 | FMP | 0.9162 |
15 | 5HU | 0.9159 |
16 | TKW | 0.9155 |
17 | XMP | 0.9153 |
18 | UMP | 0.9150 |
19 | C | 0.9141 |
20 | C2R | 0.9140 |
21 | C5P | 0.9138 |
22 | SRA | 0.9132 |
23 | IMU | 0.9114 |
24 | 71V | 0.9111 |
25 | IRP | 0.9110 |
26 | UP6 | 0.9110 |
27 | UFP | 0.9107 |
28 | PFU | 0.9106 |
29 | AMZ | 0.9103 |
30 | G7M | 0.9103 |
31 | NYM | 0.9096 |
32 | NIA | 0.9094 |
33 | QBT | 0.9086 |
34 | DG | 0.9085 |
35 | MZP | 0.9079 |
36 | FDM | 0.9069 |
37 | 5IU | 0.9061 |
38 | D5M | 0.9052 |
39 | 9L3 | 0.9051 |
40 | BRU | 0.9049 |
41 | AS | 0.9036 |
42 | FNU | 0.9035 |
43 | DA | 0.9008 |
44 | DUS | 0.8994 |
45 | DGP | 0.8993 |
46 | PSU | 0.8984 |
47 | 8OP | 0.8974 |
48 | 6MA | 0.8968 |
49 | E8B | 0.8968 |
50 | DCM | 0.8961 |
51 | QIU | 0.8958 |
52 | H2U | 0.8953 |
53 | 16B | 0.8943 |
54 | CAR | 0.8941 |
55 | 6MZ | 0.8935 |
56 | 8OG | 0.8916 |
57 | 8GM | 0.8911 |
58 | BVP | 0.8907 |
59 | 8BR | 0.8900 |
60 | ZAS | 0.8897 |
61 | EFX | 0.8895 |
62 | A3N | 0.8893 |
63 | U4S | 0.8887 |
64 | 6CG | 0.8886 |
65 | T3S | 0.8869 |
66 | MLO | 0.8864 |
67 | FN5 | 0.8844 |
68 | N5O | 0.8840 |
69 | J7C | 0.8828 |
70 | FYK | 0.8826 |
71 | 6OG | 0.8819 |
72 | 6RE | 0.8810 |
73 | UMC | 0.8805 |
74 | ICR | 0.8801 |
75 | D4M | 0.8796 |
76 | 2DT | 0.8796 |
77 | DC | 0.8795 |
78 | AIR | 0.8790 |
79 | Z8B | 0.8784 |
80 | DDN | 0.8782 |
81 | 8EQ | 0.8772 |
82 | 5CM | 0.8762 |
83 | NEC | 0.8748 |
84 | BMP | 0.8735 |
85 | 7D5 | 0.8726 |
86 | 1BJ | 0.8724 |
87 | MTA | 0.8711 |
88 | DOC | 0.8711 |
89 | MTM | 0.8697 |
90 | 3F5 | 0.8693 |
91 | EU2 | 0.8688 |
92 | BMQ | 0.8685 |
93 | O7E | 0.8674 |
94 | ATM | 0.8654 |
95 | U3S | 0.8651 |
96 | U1S | 0.8644 |
97 | CZV | 0.8640 |
98 | K6B | 0.8635 |
99 | FGR | 0.8633 |
100 | LIT | 0.8632 |
101 | NUP | 0.8628 |
102 | SU1 | 0.8614 |
103 | IRN | 0.8613 |
104 | U2S | 0.8610 |
105 | 4ZK | 0.8594 |
106 | S5P | 0.8568 |
107 | MCF | 0.8552 |
108 | ADP | 0.8537 |
109 | 581 | 0.8533 |
This union binding pocket(no: 1) in the query (biounit: 2pgj.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |