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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 17 families. | |||||
1 | 4Z46 | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
2 | 4YEO | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
3 | 6WRM | - | U8G | C14 H23 N3 O4 Rh | CC(C)(C)OC.... |
4 | 1AT5 | Kd = 0.0000666 M | NAG NAG NAG | n/a | n/a |
5 | 4OWA | - | QPT | C6 H12 N2 O4 Pt | C1CC2(C1)C.... |
6 | 1LZY | - | NDG NAG | n/a | n/a |
7 | 3A3Q | - | NAG NAG NAG | n/a | n/a |
8 | 4HP0 | Kd = 0.76 uM | NAG NOJ NAG NAG | n/a | n/a |
9 | 6BO1 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
10 | 6SYD | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
11 | 6QEA | - | J9H | C17 H18 N3 Pt | Cc1ccc2ccc.... |
12 | 6GOH | - | F7T | C15 H15 Cl2 N3 O3 Pt S | c1ccc2c(c1.... |
13 | 1HEW | Kd = 10 uM | NAG NAG NAG | n/a | n/a |
14 | 6QNB | - | NAG NAG NAG | n/a | n/a |
15 | 3QE8 | - | REI | C6 H6 N2 O4 Re | C1=C[N](=C.... |
16 | 4XN6 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
17 | 1LZB | Kd = 13 uM | NAG NAG NAG | n/a | n/a |
18 | 2H9K | - | MM6 | C10 H20 N4 Ni | C1CN2CCN3[.... |
19 | 4TUN | - | MVH | C6 H12 N O5 P | CC(=CC(=O).... |
20 | 5NJP | - | NAG NAG NAG | n/a | n/a |
21 | 4Z41 | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
22 | 1T3P | - | RU7 | C10 H14 Cl2 Ru | CC(C)C12=[.... |
23 | 5NJQ | - | NAG NAG NAG | n/a | n/a |
24 | 1LZC | - | NAG NAG NAG NAG | n/a | n/a |
25 | 4HPI | Kd = 14.2 uM | NAG NOJ NAG | n/a | n/a |
26 | 2H9J | - | MM5 | C28 H48 N8 Ni2 | c1cc(ccc1C.... |
27 | 6TVL | - | NYN | C8 H16 N2 Ru S3 | C1C[N-][Ru.... |
28 | 4XEN | - | NAG NAG NAG NAG | n/a | n/a |
29 | 1UIB | - | NAG NAG NAG | n/a | n/a |
30 | 6SYE | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
31 | 6RNB | - | NAG NAG NAG | n/a | n/a |
32 | 5NJR | - | NAG NAG NAG | n/a | n/a |
33 | 4ZEE | Kd = 1.51 mM | 1PT | C6 H14 N2 Pt | C1CC[C@@H].... |
34 | 4PRQ | - | T3Y | C28 H24 O16 S4 | c1c(cc2c(c.... |
35 | 3TXJ | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
36 | 1JEF | - | NAG NAG NAG | n/a | n/a |
37 | 1YIK | - | MM1 | C10 H24 Cu N4 | C1C[N@@H]2.... |
38 | 1LZG | Kd = 0.14 mM | NAG NAG | n/a | n/a |
39 | 3QNG | - | REJ | C6 H6 N O6 Re | C([C@H]1C(.... |
40 | 6FSJ | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 1LJN | - | NAG NAG | n/a | n/a |
42 | 6SYC | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
43 | 5NJS | - | NAG NAG NAG | n/a | n/a |
44 | 1YL1 | - | ETF | C2 H3 F3 O | C(C(F)(F)F.... |
45 | 1B0D | - | TSU | C7 H8 O3 S | Cc1ccc(cc1.... |
46 | 1LZE | Kd = 83 uM | NAG NAG NAG NAG | n/a | n/a |
47 | 4Z3M | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
48 | 1UIH | - | NAG NAG NAG | n/a | n/a |
49 | 1AT6 | Kd = 0.000085 M | NAG NAG NAG | n/a | n/a |
50 | 1YIL | - | MM2 | C28 H54 Cu2 N8 | c1cc(ccc1C.... |
51 | 6BO2 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
52 | 2PC2 | - | PDC | C7 H5 N O4 | c1cc(nc(c1.... |
53 | 4N8Z | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
54 | 5B5J | - | UTX | C21 H29 B12 N6 O5 S | B1234B567B.... |
55 | 6RNC | - | NAG NAG NAG | n/a | n/a |
56 | 6GOB | - | F6Q | C15 H15 Cl2 N3 O3 Pd S | c1ccc2c(c1.... |
57 | 1LMP | - | NDG NAG NAG | n/a | n/a |
58 | 1BB6 | Ka = 500000 M^-1 | UMG | C34 H47 N3 O18 | CC1=CC(=O).... |
59 | 1LMO | - | NAG NAG | n/a | n/a |
60 | 1BB7 | Ka = 15000 M^-1 | GUM | C26 H34 N2 O13 | CC1=CC(=O).... |
61 | 1LMQ | - | NDG NAG NAG NAG | n/a | n/a |
62 | 1LMC | - | BUL | C16 H29 N3 O14 S2 | CC(=O)N[C@.... |
63 | 1LZR | - | NAG NAG NAG NAG | n/a | n/a |
64 | 1LZS | - | NAG NAG | n/a | n/a |
65 | 1LMT | - | NAG NAG NAG | n/a | n/a |
66 | 1BB5 | - | NAG NAG NAG | n/a | n/a |
67 | 1LSZ | - | NDG NAG NAG NAG | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 4Z46 | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
2 | 4YEO | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
3 | 6WRM | - | U8G | C14 H23 N3 O4 Rh | CC(C)(C)OC.... |
4 | 1AT5 | Kd = 0.0000666 M | NAG NAG NAG | n/a | n/a |
5 | 4OWA | - | QPT | C6 H12 N2 O4 Pt | C1CC2(C1)C.... |
6 | 1LZY | - | NDG NAG | n/a | n/a |
7 | 3A3Q | - | NAG NAG NAG | n/a | n/a |
8 | 4HP0 | Kd = 0.76 uM | NAG NOJ NAG NAG | n/a | n/a |
9 | 6BO1 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
10 | 6SYD | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
11 | 6QEA | - | J9H | C17 H18 N3 Pt | Cc1ccc2ccc.... |
12 | 6GOH | - | F7T | C15 H15 Cl2 N3 O3 Pt S | c1ccc2c(c1.... |
13 | 1HEW | Kd = 10 uM | NAG NAG NAG | n/a | n/a |
14 | 6QNB | - | NAG NAG NAG | n/a | n/a |
15 | 3QE8 | - | REI | C6 H6 N2 O4 Re | C1=C[N](=C.... |
16 | 4XN6 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
17 | 1LZB | Kd = 13 uM | NAG NAG NAG | n/a | n/a |
18 | 2H9K | - | MM6 | C10 H20 N4 Ni | C1CN2CCN3[.... |
19 | 4TUN | - | MVH | C6 H12 N O5 P | CC(=CC(=O).... |
20 | 5NJP | - | NAG NAG NAG | n/a | n/a |
21 | 4Z41 | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
22 | 1T3P | - | RU7 | C10 H14 Cl2 Ru | CC(C)C12=[.... |
23 | 5NJQ | - | NAG NAG NAG | n/a | n/a |
24 | 1LZC | - | NAG NAG NAG NAG | n/a | n/a |
25 | 4HPI | Kd = 14.2 uM | NAG NOJ NAG | n/a | n/a |
26 | 2H9J | - | MM5 | C28 H48 N8 Ni2 | c1cc(ccc1C.... |
27 | 6TVL | - | NYN | C8 H16 N2 Ru S3 | C1C[N-][Ru.... |
28 | 4XEN | - | NAG NAG NAG NAG | n/a | n/a |
29 | 1UIB | - | NAG NAG NAG | n/a | n/a |
30 | 6SYE | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
31 | 6RNB | - | NAG NAG NAG | n/a | n/a |
32 | 5NJR | - | NAG NAG NAG | n/a | n/a |
33 | 4ZEE | Kd = 1.51 mM | 1PT | C6 H14 N2 Pt | C1CC[C@@H].... |
34 | 4PRQ | - | T3Y | C28 H24 O16 S4 | c1c(cc2c(c.... |
35 | 3TXJ | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
36 | 1JEF | - | NAG NAG NAG | n/a | n/a |
37 | 1YIK | - | MM1 | C10 H24 Cu N4 | C1C[N@@H]2.... |
38 | 1LZG | Kd = 0.14 mM | NAG NAG | n/a | n/a |
39 | 3QNG | - | REJ | C6 H6 N O6 Re | C([C@H]1C(.... |
40 | 6FSJ | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 1LJN | - | NAG NAG | n/a | n/a |
42 | 6SYC | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
43 | 5NJS | - | NAG NAG NAG | n/a | n/a |
44 | 1YL1 | - | ETF | C2 H3 F3 O | C(C(F)(F)F.... |
45 | 1B0D | - | TSU | C7 H8 O3 S | Cc1ccc(cc1.... |
46 | 1LZE | Kd = 83 uM | NAG NAG NAG NAG | n/a | n/a |
47 | 4Z3M | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
48 | 1UIH | - | NAG NAG NAG | n/a | n/a |
49 | 1AT6 | Kd = 0.000085 M | NAG NAG NAG | n/a | n/a |
50 | 1YIL | - | MM2 | C28 H54 Cu2 N8 | c1cc(ccc1C.... |
51 | 6BO2 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
52 | 2PC2 | - | PDC | C7 H5 N O4 | c1cc(nc(c1.... |
53 | 4N8Z | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
54 | 5B5J | - | UTX | C21 H29 B12 N6 O5 S | B1234B567B.... |
55 | 6RNC | - | NAG NAG NAG | n/a | n/a |
56 | 6GOB | - | F6Q | C15 H15 Cl2 N3 O3 Pd S | c1ccc2c(c1.... |
57 | 1LMP | - | NDG NAG NAG | n/a | n/a |
58 | 1BB6 | Ka = 500000 M^-1 | UMG | C34 H47 N3 O18 | CC1=CC(=O).... |
59 | 1LMO | - | NAG NAG | n/a | n/a |
60 | 1BB7 | Ka = 15000 M^-1 | GUM | C26 H34 N2 O13 | CC1=CC(=O).... |
61 | 1LMQ | - | NDG NAG NAG NAG | n/a | n/a |
62 | 1LMC | - | BUL | C16 H29 N3 O14 S2 | CC(=O)N[C@.... |
63 | 1LZR | - | NAG NAG NAG NAG | n/a | n/a |
64 | 1LZS | - | NAG NAG | n/a | n/a |
65 | 1LMT | - | NAG NAG NAG | n/a | n/a |
66 | 1BB5 | - | NAG NAG NAG | n/a | n/a |
67 | 6T6C | - | NAG NAG NAG NAG | n/a | n/a |
68 | 2H5Z | - | NAG NAG NAG | n/a | n/a |
69 | 1LSZ | - | NDG NAG NAG NAG | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MVH | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5DL | 0.9067 |
2 | FOM | 0.9056 |
3 | 7MW | 0.9055 |
4 | 5RP | 0.9055 |
5 | 1X4 | 0.9008 |
6 | AZM | 0.8996 |
7 | A5P | 0.8993 |
8 | R5P | 0.8983 |
9 | ILO | 0.8982 |
10 | DHM | 0.8971 |
11 | E4P | 0.8970 |
12 | 6C9 | 0.8966 |
13 | GVM | 0.8948 |
14 | LUQ | 0.8943 |
15 | ENV | 0.8905 |
16 | DER | 0.8904 |
17 | MLZ | 0.8902 |
18 | XRX | 0.8898 |
19 | HAR | 0.8891 |
20 | PPK | 0.8884 |
21 | ENW | 0.8883 |
22 | PA5 | 0.8873 |
23 | TAG | 0.8866 |
24 | 9J6 | 0.8865 |
25 | KDG | 0.8852 |
26 | RES | 0.8852 |
27 | UN1 | 0.8850 |
28 | GCO | 0.8847 |
29 | DXP | 0.8839 |
30 | FUD | 0.8830 |
31 | XOG | 0.8830 |
32 | DLT | 0.8827 |
33 | CUW | 0.8823 |
34 | Q9Z | 0.8821 |
35 | ARG | 0.8812 |
36 | LPB | 0.8808 |
37 | RQD | 0.8806 |
38 | 9GB | 0.8804 |
39 | API | 0.8799 |
40 | 5LD | 0.8797 |
41 | GLO | 0.8791 |
42 | 3PG | 0.8784 |
43 | 5TO | 0.8782 |
44 | NPI | 0.8780 |
45 | XI7 | 0.8780 |
46 | 3PO | 0.8777 |
47 | MLY | 0.8767 |
48 | KPC | 0.8766 |
49 | REL | 0.8765 |
50 | CIY | 0.8765 |
51 | GGB | 0.8760 |
52 | 8SZ | 0.8752 |
53 | 26P | 0.8752 |
54 | 1PS | 0.8749 |
55 | D3G | 0.8747 |
56 | 6C4 | 0.8747 |
57 | 152 | 0.8747 |
58 | 1N5 | 0.8746 |
59 | CIR | 0.8744 |
60 | P93 | 0.8739 |
61 | Z70 | 0.8738 |
62 | CS2 | 0.8737 |
63 | 6C5 | 0.8734 |
64 | KMH | 0.8729 |
65 | 0CG | 0.8728 |
66 | SOR | 0.8726 |
67 | DAR | 0.8720 |
68 | 3YP | 0.8718 |
69 | GLY GLY GLY | 0.8709 |
70 | MAJ | 0.8690 |
71 | S7S | 0.8689 |
72 | BVS | 0.8688 |
73 | N1E | 0.8686 |
74 | IAR | 0.8684 |
75 | HBU | 0.8678 |
76 | TYR | 0.8678 |
77 | DTY | 0.8678 |
78 | 795 | 0.8676 |
79 | 36M | 0.8667 |
80 | YTX | 0.8664 |
81 | 492 | 0.8659 |
82 | 4BF | 0.8658 |
83 | AHN | 0.8657 |
84 | YIE | 0.8650 |
85 | N2Y | 0.8643 |
86 | 6FG | 0.8643 |
87 | IAC | 0.8638 |
88 | ATX | 0.8638 |
89 | HPO | 0.8635 |
90 | C26 | 0.8632 |
91 | 0OY | 0.8632 |
92 | PH3 | 0.8631 |
93 | MTL | 0.8631 |
94 | Y4L | 0.8630 |
95 | GAE | 0.8622 |
96 | 2OR | 0.8619 |
97 | 3C5 | 0.8619 |
98 | TEG | 0.8616 |
99 | EUE | 0.8613 |
100 | N9J | 0.8613 |
101 | OOG | 0.8609 |
102 | GGG | 0.8605 |
103 | GLR | 0.8603 |
104 | 8CC | 0.8594 |
105 | DXG | 0.8593 |
106 | 1L5 | 0.8588 |
107 | SSB | 0.8587 |
108 | 11C | 0.8587 |
109 | PRO GLY | 0.8582 |
110 | HL4 | 0.8579 |
111 | AOS | 0.8578 |
112 | L06 | 0.8569 |
113 | HC4 | 0.8569 |
114 | 2JJ | 0.8568 |
115 | VM1 | 0.8567 |
116 | 3W8 | 0.8565 |
117 | I3E | 0.8564 |
118 | AG2 | 0.8562 |
119 | 3BU | 0.8560 |
120 | BL0 | 0.8560 |
121 | FHC | 0.8557 |
122 | HNE | 0.8555 |
123 | N7I | 0.8554 |
124 | JQ5 | 0.8554 |
125 | DZA | 0.8552 |
126 | 5F5 | 0.8551 |
127 | BHU | 0.8551 |
128 | 5F8 | 0.8546 |
129 | DIA | 0.8540 |
130 | S6P | 0.8519 |
131 | D10 | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 4hp0.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |