- 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 18 families. | |||||
1 | 4G45 | Kd = 400 uM | MQN | C10 H10 N2 | Cc1ccc2cc(.... |
2 | 4IQ7 | Kd = 1561 uM | 1G9 | C12 H14 N2 O3 | C[C@H]1C(=.... |
3 | 5IBF | Kd = 140 uM | 69W | C15 H14 N4 | c1cc(cc(c1.... |
4 | 4IPW | Kd = 14.5 uM | 1G7 | C18 H18 N2 O5 | c1cc(ccc1C.... |
5 | 5IBD | - | GGJ | C22 H20 N4 O | COc1ccc(cc.... |
6 | 4G46 | Kd ~ 3 mM | TTY | C9 H8 O4 | c1c(c2c(o1.... |
7 | 4IPS | Kd = 657 uM | 1G4 | C18 H20 N2 O3 | c1cc(ccc1C.... |
8 | 5IBG | Kd = 4.5 uM | 69S | C21 H18 N4 O2 | c1cc(cc(c1.... |
9 | 6GEO | Kd = 3.31 uM | EW2 | C21 H16 Cl N5 | c1ccc(cc1).... |
10 | 4KTJ | Kd = 1.9 mM | KTJ | C9 H9 N3 O | c1cc(ccc1c.... |
11 | 6GEQ | Kd = 218.6 uM | EW5 | C21 H17 N5 O | c1ccc(cc1).... |
12 | 5OPA | Kd = 4.16 uM | A2W | C19 H15 F N4 | c1ccc(cc1).... |
13 | 6RQ5 | Kd = 15.1 uM | KEB | C20 H22 N2 O4 | Cc1cc(cc(c.... |
14 | 6RQ0 | Kd = 1.1 uM | KE2 | C19 H20 N2 O4 | Cc1cc(ccc1.... |
15 | 4KTK | Kd = 180 uM | KTK | C15 H13 N3 O3 | c1cc(ccc1c.... |
16 | 5IBH | Kd = 275 uM | 69R | C19 H17 N5 O2 | c1cc(ccc1c.... |
17 | 5O4L | - | 9KB | C17 H21 F N4 O | c1cc(ccc1C.... |
18 | 4KTF | Kd = 40 uM | 1TM | C15 H13 N3 O2 | c1cc(ccc1c.... |
19 | 4IQ9 | Kd = 39 uM | 1GB | C20 H19 N3 O3 | c1ccc2c(c1.... |
20 | 4ICT | Kd = 45.6 uM | 1ED | C18 H18 N2 O3 | c1ccc(cc1).... |
21 | 5IBI | Kd = 6.3 uM | 69U | C22 H19 N3 O3 | c1cc(ccc1C.... |
22 | 4KTL | Kd = 15 uM | 1CQ | C21 H17 N3 O3 | c1cc(ccc1c.... |
23 | 6RQ9 | Kd = 10.4 uM | KEQ | C19 H20 N2 O4 | COc1ccc(cc.... |
24 | 5OP9 | Kd = 11.4 uM | BZ6 | C20 H18 N4 O | COc1ccc(cc.... |
25 | 5O4K | - | 9KE | C17 H21 Cl N4 O | c1cc(ccc1C.... |
26 | 6RQ3 | - | OUC | C20 H22 N2 O4 | Cc1cc(cc(c.... |
27 | 6RQD | Kd = 1.5 uM | KEW | C18 H17 Cl N2 O4 | c1cc(ccc1C.... |
28 | 6RQ8 | Kd = 0.28 uM | KEH | C18 H17 I N2 O4 | c1cc(ccc1C.... |
29 | 6RQE | - | KEZ | C20 H18 N2 O4 | C#Cc1cc(cc.... |
30 | 4G44 | Kd = 1.6 mM | TZM | C9 H10 N4 | c1cc(cc(c1.... |
31 | 6RQ1 | Kd = 39.8 uM | KE5 | C19 H20 N2 O4 | Cc1cc(ccc1.... |
32 | 1N4G | - | PYZ | C3 H3 I N2 | c1c(cn[nH].... |
33 | 4G1X | Kd = 28 uM | TQU | C11 H9 N5 | c1cc2c(cc1.... |
34 | 5EDT | Kd = 3.4 mM | 5MK | C7 H7 Cl N2 O | c1cc(c(cc1.... |
35 | 4G48 | Kd = 500 uM | PZB | C15 H12 N2 O3 | c1ccc(cc1).... |
36 | 6RQ6 | Kd = 12.8 uM | R2H | C18 H17 F N2 O4 | c1cc(ccc1C.... |
37 | 6RQB | Kd = 0.46 uM | Q47 | C18 H17 Br N2 O4 | c1cc(ccc1C.... |
38 | 5IBE | Kd = 0.74 uM | 69M | C21 H18 N4 O | c1cc(cc(c1.... |
39 | 4G2G | Kd ~ 2.8 mM | TDH | C14 H11 N3 O2 | c1cc(ccc1c.... |
40 | 5WP2 | Kd = 10.5 uM | YTT | C18 H18 N2 O4 | c1cc(ccc1C.... |
41 | 4G47 | Kd ~ 1.7 mM | TZF | C8 H7 N3 O | c1cc(ccc1n.... |
42 | 2IJ7 | Kd = 5 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 4G45 | Kd = 400 uM | MQN | C10 H10 N2 | Cc1ccc2cc(.... |
2 | 4IQ7 | Kd = 1561 uM | 1G9 | C12 H14 N2 O3 | C[C@H]1C(=.... |
3 | 5IBF | Kd = 140 uM | 69W | C15 H14 N4 | c1cc(cc(c1.... |
4 | 4IPW | Kd = 14.5 uM | 1G7 | C18 H18 N2 O5 | c1cc(ccc1C.... |
5 | 5IBD | - | GGJ | C22 H20 N4 O | COc1ccc(cc.... |
6 | 4G46 | Kd ~ 3 mM | TTY | C9 H8 O4 | c1c(c2c(o1.... |
7 | 4IPS | Kd = 657 uM | 1G4 | C18 H20 N2 O3 | c1cc(ccc1C.... |
8 | 5IBG | Kd = 4.5 uM | 69S | C21 H18 N4 O2 | c1cc(cc(c1.... |
9 | 6GEO | Kd = 3.31 uM | EW2 | C21 H16 Cl N5 | c1ccc(cc1).... |
10 | 4KTJ | Kd = 1.9 mM | KTJ | C9 H9 N3 O | c1cc(ccc1c.... |
11 | 6GEQ | Kd = 218.6 uM | EW5 | C21 H17 N5 O | c1ccc(cc1).... |
12 | 5OPA | Kd = 4.16 uM | A2W | C19 H15 F N4 | c1ccc(cc1).... |
13 | 6RQ5 | Kd = 15.1 uM | KEB | C20 H22 N2 O4 | Cc1cc(cc(c.... |
14 | 6RQ0 | Kd = 1.1 uM | KE2 | C19 H20 N2 O4 | Cc1cc(ccc1.... |
15 | 4KTK | Kd = 180 uM | KTK | C15 H13 N3 O3 | c1cc(ccc1c.... |
16 | 5IBH | Kd = 275 uM | 69R | C19 H17 N5 O2 | c1cc(ccc1c.... |
17 | 5O4L | - | 9KB | C17 H21 F N4 O | c1cc(ccc1C.... |
18 | 4KTF | Kd = 40 uM | 1TM | C15 H13 N3 O2 | c1cc(ccc1c.... |
19 | 4IQ9 | Kd = 39 uM | 1GB | C20 H19 N3 O3 | c1ccc2c(c1.... |
20 | 4ICT | Kd = 45.6 uM | 1ED | C18 H18 N2 O3 | c1ccc(cc1).... |
21 | 5IBI | Kd = 6.3 uM | 69U | C22 H19 N3 O3 | c1cc(ccc1C.... |
22 | 4KTL | Kd = 15 uM | 1CQ | C21 H17 N3 O3 | c1cc(ccc1c.... |
23 | 6RQ9 | Kd = 10.4 uM | KEQ | C19 H20 N2 O4 | COc1ccc(cc.... |
24 | 5OP9 | Kd = 11.4 uM | BZ6 | C20 H18 N4 O | COc1ccc(cc.... |
25 | 5O4K | - | 9KE | C17 H21 Cl N4 O | c1cc(ccc1C.... |
26 | 6RQ3 | - | OUC | C20 H22 N2 O4 | Cc1cc(cc(c.... |
27 | 6RQD | Kd = 1.5 uM | KEW | C18 H17 Cl N2 O4 | c1cc(ccc1C.... |
28 | 6RQ8 | Kd = 0.28 uM | KEH | C18 H17 I N2 O4 | c1cc(ccc1C.... |
29 | 6RQE | - | KEZ | C20 H18 N2 O4 | C#Cc1cc(cc.... |
30 | 4G44 | Kd = 1.6 mM | TZM | C9 H10 N4 | c1cc(cc(c1.... |
31 | 6RQ1 | Kd = 39.8 uM | KE5 | C19 H20 N2 O4 | Cc1cc(ccc1.... |
32 | 1N4G | - | PYZ | C3 H3 I N2 | c1c(cn[nH].... |
33 | 4G1X | Kd = 28 uM | TQU | C11 H9 N5 | c1cc2c(cc1.... |
34 | 5EDT | Kd = 3.4 mM | 5MK | C7 H7 Cl N2 O | c1cc(c(cc1.... |
35 | 4G48 | Kd = 500 uM | PZB | C15 H12 N2 O3 | c1ccc(cc1).... |
36 | 6RQ6 | Kd = 12.8 uM | R2H | C18 H17 F N2 O4 | c1cc(ccc1C.... |
37 | 6RQB | Kd = 0.46 uM | Q47 | C18 H17 Br N2 O4 | c1cc(ccc1C.... |
38 | 5IBE | Kd = 0.74 uM | 69M | C21 H18 N4 O | c1cc(cc(c1.... |
39 | 4G2G | Kd ~ 2.8 mM | TDH | C14 H11 N3 O2 | c1cc(ccc1c.... |
40 | 5WP2 | Kd = 10.5 uM | YTT | C18 H18 N2 O4 | c1cc(ccc1C.... |
41 | 4G47 | Kd ~ 1.7 mM | TZF | C8 H7 N3 O | c1cc(ccc1n.... |
42 | 2IJ7 | Kd = 5 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PZB | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KTK | 0.9406 |
2 | 74Z | 0.9388 |
3 | UI2 | 0.9215 |
4 | 7M2 | 0.9210 |
5 | KMP | 0.9169 |
6 | 0H5 | 0.9151 |
7 | QUE | 0.9132 |
8 | 1TM | 0.9114 |
9 | 6XC | 0.9103 |
10 | O2Q | 0.9101 |
11 | DRM | 0.9088 |
12 | 9ME | 0.9087 |
13 | 6JJ | 0.9073 |
14 | KXN | 0.9073 |
15 | 22T | 0.9044 |
16 | 0SX | 0.9040 |
17 | DQH | 0.9038 |
18 | BC3 | 0.9014 |
19 | 34L | 0.9006 |
20 | 43G | 0.9006 |
21 | 4RV | 0.9004 |
22 | 8RK | 0.9003 |
23 | 1CE | 0.8993 |
24 | HWB | 0.8987 |
25 | I46 | 0.8984 |
26 | CC6 | 0.8983 |
27 | JHY | 0.8980 |
28 | LQG | 0.8980 |
29 | 7Z9 | 0.8953 |
30 | NAR | 0.8948 |
31 | 49K | 0.8944 |
32 | BHF | 0.8940 |
33 | U5P | 0.8931 |
34 | SFY | 0.8930 |
35 | UP6 | 0.8925 |
36 | 9XZ | 0.8915 |
37 | T34 | 0.8912 |
38 | 7M5 | 0.8909 |
39 | FX5 | 0.8909 |
40 | 4BH | 0.8908 |
41 | TDH | 0.8897 |
42 | YKN | 0.8884 |
43 | 3JC | 0.8880 |
44 | ET0 | 0.8875 |
45 | 6HV | 0.8868 |
46 | ML1 | 0.8864 |
47 | GG5 | 0.8863 |
48 | L5S | 0.8859 |
49 | C5P | 0.8854 |
50 | 77X | 0.8852 |
51 | SNB | 0.8846 |
52 | UMP | 0.8844 |
53 | BMP | 0.8842 |
54 | 3WL | 0.8838 |
55 | 7VF | 0.8836 |
56 | DC | 0.8834 |
57 | DCM | 0.8834 |
58 | DU | 0.8833 |
59 | U | 0.8833 |
60 | 1Q4 | 0.8831 |
61 | 1QJ | 0.8829 |
62 | 27N | 0.8826 |
63 | VKE | 0.8825 |
64 | QNI | 0.8823 |
65 | FVY | 0.8818 |
66 | DTQ | 0.8808 |
67 | STS | 0.8805 |
68 | FN5 | 0.8803 |
69 | KOM | 0.8801 |
70 | 5KN | 0.8795 |
71 | 57D | 0.8792 |
72 | TMP | 0.8789 |
73 | KM2 | 0.8782 |
74 | NUP | 0.8775 |
75 | CAR | 0.8774 |
76 | UMC | 0.8770 |
77 | CH | 0.8769 |
78 | C | 0.8769 |
79 | T3S | 0.8768 |
80 | WUL | 0.8767 |
81 | U4S | 0.8761 |
82 | A0O | 0.8754 |
83 | FZB | 0.8754 |
84 | BMQ | 0.8733 |
85 | 4UB | 0.8732 |
86 | U6M | 0.8731 |
87 | 6HW | 0.8729 |
88 | H2U | 0.8726 |
89 | BN1 | 0.8720 |
90 | TCW | 0.8719 |
91 | JTF | 0.8715 |
92 | DDN | 0.8712 |
93 | 2AN | 0.8704 |
94 | YTZ | 0.8704 |
95 | DDC | 0.8704 |
96 | NYM | 0.8699 |
97 | YM6 | 0.8696 |
98 | 3AK | 0.8695 |
99 | UFP | 0.8694 |
100 | B4L | 0.8685 |
101 | 64F | 0.8682 |
102 | GKW | 0.8678 |
103 | FSE | 0.8676 |
104 | 2GE | 0.8673 |
105 | 5IU | 0.8673 |
106 | 6HZ | 0.8667 |
107 | XG1 | 0.8661 |
108 | 460 | 0.8659 |
109 | 5FU | 0.8658 |
110 | VRV | 0.8657 |
111 | 3WO | 0.8653 |
112 | 3WN | 0.8653 |
113 | FUJ | 0.8649 |
114 | 362 | 0.8646 |
115 | 16B | 0.8641 |
116 | 4V9 | 0.8636 |
117 | 96Z | 0.8632 |
118 | D4M | 0.8626 |
119 | 3WK | 0.8626 |
120 | GVQ | 0.8626 |
121 | 7A9 | 0.8625 |
122 | D87 | 0.8624 |
123 | PZX | 0.8620 |
124 | 4QX | 0.8610 |
125 | MIL | 0.8605 |
126 | 7XX | 0.8603 |
127 | 08D | 0.8603 |
128 | 90J | 0.8599 |
129 | TKW | 0.8599 |
130 | VGG | 0.8598 |
131 | YJX | 0.8591 |
132 | JDQ | 0.8585 |
133 | JYM | 0.8584 |
134 | C9Q | 0.8579 |
135 | K6N | 0.8579 |
136 | 8HG | 0.8575 |
137 | PQD | 0.8575 |
138 | F91 | 0.8564 |
139 | AC2 | 0.8561 |
140 | NWL | 0.8548 |
This union binding pocket(no: 1) in the query (biounit: 6rq8.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |