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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 426 families. | |||||
1 | 2G5L | - | FME ASP VAL GLU ALA TRP LEU | n/a | n/a |
2 | 3WZO | - | ZOE | C16 H27 N3 O5 S | C1[C@H]2[C.... |
3 | 2RTM | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
4 | 4Y59 | Kd = 5.8 uM | T21 | C14 H8 F3 N O2 | c1cc(cc(c1.... |
5 | 1NQM | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
6 | 1VWQ | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
7 | 1NC9 | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
8 | 2RTI | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
9 | 5B5G | Kd = 5.6 uM | 6FX | C14 H10 N2 O4 | COC(=O)c1c.... |
10 | 4Y5D | Kd = 1.2 uM | MT6 | C15 H11 N O4 | COC(=O)c1c.... |
11 | 1SRJ | - | NAB | C17 H12 N2 O3 | c1ccc2c(c1.... |
12 | 4CPF | - | LH3 | C32 H34 N4 O6 S | COC(=O)c1c.... |
13 | 1NDJ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
14 | 2IZL | Kd = 1 uM | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
15 | 2RTJ | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
16 | 1SWR | Kd = 0.12 uM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
17 | 1SWE | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
18 | 1SRF | - | MTB | C17 H18 N2 O3 | CC(C)(C)c1.... |
19 | 1RXJ | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
20 | 1SWK | Ka = 100000000000000 M^-1 | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
21 | 2RTR | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
22 | 4CPI | - | LH4 | C36 H44 N6 O8 S3 | c1cc(c(c(c.... |
23 | 2RTD | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
24 | 3WYQ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
25 | 2RTK | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
26 | 1LCZ | - | BH7 | C16 H27 N3 O4 S | C1[C@H]2[C.... |
27 | 6VJK | Kd = 0.000000064 M | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
28 | 1SWN | Ka = 100000000000000 M^-1 | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
29 | 1RST | Kd = 37 uM | ALA TRP ARG HIS PRO GLN PHE GLY GLY | n/a | n/a |
30 | 2RTG | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
31 | 1SLE | Kd = 670 nM | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
32 | 4CPE | - | LUV | C31 H34 N4 O3 S | c1ccc(cc1).... |
33 | 2RTE | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
34 | 3WZP | - | ZOF | C16 H28 N4 O3 S | [H]/N=C/1N.... |
35 | 1VWF | Kd = 2200 nM | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
36 | 2RTO | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
37 | 1SWT | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
38 | 1SWP | Ka = 100000000 M^-1 | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
39 | 1VWG | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
40 | 6M9B | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
41 | 2RTF | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
42 | 1VWC | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
43 | 1STS | Kd = 10 uM | PHE CYS HIS PRO GLN ASN THR NH2 | n/a | n/a |
44 | 2IZI | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
45 | 1VWN | Kd = 1500 nM | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
46 | 2IZF | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
47 | 1SWD | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
48 | 1LCW | - | SHM | C11 H18 N2 O3 S | C1[C@H]2[C.... |
49 | 1RXK | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
50 | 1SRG | Ka = 200000 M^-1 | MHB | C14 H12 N2 O3 | Cc1cc(ccc1.... |
51 | 1I9H | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
52 | 1VWR | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
53 | 2IZH | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
54 | 2RTP | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
55 | 1SLD | Kd = 270 nM | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
56 | 1KL3 | Kd = 1.37 uM | ASN TRP SER HIS PRO GLN PHE GLU LYS | n/a | n/a |
57 | 1DF8 | Kd = 0.2 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
58 | 3T6F | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
59 | 1VWO | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
60 | 1VWK | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
61 | 1SLG | Kd = 125 uM | PHE SER HIS PRO GLN ASN THR | n/a | n/a |
62 | 2RTQ | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
63 | 1N43 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
64 | 3WZN | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
65 | 1VWD | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
66 | 2Y3F | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
67 | 1VWL | Kd = 2.33 uM | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
68 | 1VWA | - | PHE SER HIS PRO GLN ASN THR | n/a | n/a |
69 | 2IZG | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
70 | 3MG5 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
71 | 1SRI | Ka = 1200000 M^-1 | DMB | C15 H14 N2 O3 | Cc1cc(cc(c.... |
72 | 1KL5 | Kd = 1.02 uM | ASN TRP SER HIS PRO GLN PHE GLU LYS | n/a | n/a |
73 | 1VWH | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
74 | 1PTS | - | PHE SER HIS PRO GLN ASN THR | n/a | n/a |
75 | 1MK5 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
76 | 1LUQ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
77 | 1VWB | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
78 | 2IZK | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
79 | 1VWE | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
80 | 2RTN | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
81 | 1MEP | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
82 | 3WYP | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
83 | 2RTL | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
84 | 1N9M | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
85 | 1VWI | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
86 | 2IZJ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
87 | 1STR | Kd = 17 uM | ACE CYS HIS PRO GLN ASN THR NH2 | n/a | n/a |
88 | 1VWP | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
89 | 1VWJ | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
90 | 1LCV | - | SNR | C9 H14 N2 O3 S | C1[C@H]2[C.... |
91 | 1RSU | Kd = 72 uM | SER ASN TRP SER HIS PRO GLN PHE GLU LYS | n/a | n/a |
92 | 2RTH | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
93 | 5B5F | Kd = 5.6 uM | 6F3 | C14 H12 N2 O4 S | CNS(=O)(=O.... |
94 | 2F01 | Kd ~ 0.1 pM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
95 | 1VWM | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
96 | 2GH7 | Kd ~ 0.1 pM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
97 | 3RDQ | Kd = 0.49 nM | DTB | C10 H18 N2 O3 | C[C@H]1[C@.... |
98 | 3RDO | Kd = 0.14 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
99 | 3RDM | Kd = 0.14 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
100 | 3WZQ | Kd = 0.000000064 M | ZOF | C16 H28 N4 O3 S | [H]/N=C/1N.... |
101 | 3X00 | Kd = 0.83 nM | ZOF ZOF EDN | n/a | n/a |
102 | 2QCB | - | KYS | C24 H31 Cl N5 O4 Ru S2 | c1cc(ccc1N.... |
103 | 5IRA | - | 9RU | C31 H41 Cl2 N5 O2 Ru S | Cc1cc(c(c(.... |
104 | 5F2B | - | 9RU | C31 H41 Cl2 N5 O2 Ru S | Cc1cc(c(c(.... |
105 | 4OKA | - | 5IR | C18 H26 Ir N5 O4 S2 | c1cc(ccc1N.... |
106 | 6AUL | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
107 | 4GJV | - | 0OD | C21 H32 Cl3 N3 O2 Rh S | CC12=C3([R.... |
108 | 6ESU | Ki = 249.3 mM | 6IR | C18 H27 N5 O4 S2 | c1cc(ccc1N.... |
109 | 4GJS | - | 0OD | C21 H32 Cl3 N3 O2 Rh S | CC12=C3([R.... |
110 | 2WPU | Kd < 60 nM | KYT | C24 H39 Cl N5 O2 Ru S | CC1=[CH]2C.... |
111 | 3PK2 | - | 4IR | C28 H45 Cl Ir N5 O4 S2 | C[CH]12[CH.... |
112 | 6VJL | Kd = 0.000000064 M | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
113 | 6ESS | - | 4IR | C28 H45 Cl Ir N5 O4 S2 | C[CH]12[CH.... |
114 | 5N99 | Kd = 61.3 uM | ASN GLN DPR TRP GLN | n/a | n/a |
115 | 4EKV | Kd = 0.000000064 M | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 2G5L | - | FME ASP VAL GLU ALA TRP LEU | n/a | n/a |
2 | 3WZO | - | ZOE | C16 H27 N3 O5 S | C1[C@H]2[C.... |
3 | 2RTM | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
4 | 4Y59 | Kd = 5.8 uM | T21 | C14 H8 F3 N O2 | c1cc(cc(c1.... |
5 | 1NQM | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
6 | 1VWQ | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
7 | 1NC9 | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
8 | 2RTI | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
9 | 5B5G | Kd = 5.6 uM | 6FX | C14 H10 N2 O4 | COC(=O)c1c.... |
10 | 4Y5D | Kd = 1.2 uM | MT6 | C15 H11 N O4 | COC(=O)c1c.... |
11 | 1SRJ | - | NAB | C17 H12 N2 O3 | c1ccc2c(c1.... |
12 | 4CPF | - | LH3 | C32 H34 N4 O6 S | COC(=O)c1c.... |
13 | 1NDJ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
14 | 2IZL | Kd = 1 uM | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
15 | 2RTJ | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
16 | 1SWR | Kd = 0.12 uM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
17 | 1SWE | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
18 | 1SRF | - | MTB | C17 H18 N2 O3 | CC(C)(C)c1.... |
19 | 1SLE | Kd = 670 nM | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
20 | 4CPE | - | LUV | C31 H34 N4 O3 S | c1ccc(cc1).... |
21 | 2RTE | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
22 | 3WZP | - | ZOF | C16 H28 N4 O3 S | [H]/N=C/1N.... |
23 | 1VWF | Kd = 2200 nM | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
24 | 2RTO | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
25 | 1SWT | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
26 | 1SWP | Ka = 100000000 M^-1 | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
27 | 1VWG | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
28 | 6M9B | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
29 | 2RTF | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
30 | 1VWC | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
31 | 1STS | Kd = 10 uM | PHE CYS HIS PRO GLN ASN THR NH2 | n/a | n/a |
32 | 2IZI | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
33 | 1VWN | Kd = 1500 nM | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
34 | 2IZF | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
35 | 1SWD | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
36 | 1LCW | - | SHM | C11 H18 N2 O3 S | C1[C@H]2[C.... |
37 | 1RXK | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
38 | 1SRG | Ka = 200000 M^-1 | MHB | C14 H12 N2 O3 | Cc1cc(ccc1.... |
39 | 1I9H | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
40 | 1VWR | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
41 | 2IZH | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
42 | 2RTP | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
43 | 1SLD | Kd = 270 nM | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
44 | 1KL3 | Kd = 1.37 uM | ASN TRP SER HIS PRO GLN PHE GLU LYS | n/a | n/a |
45 | 1DF8 | Kd = 0.2 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
46 | 3T6F | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
47 | 1VWO | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
48 | 1VWK | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
49 | 1SLG | Kd = 125 uM | PHE SER HIS PRO GLN ASN THR | n/a | n/a |
50 | 2RTQ | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
51 | 1N43 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
52 | 3WZN | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
53 | 1VWD | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
54 | 2Y3F | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
55 | 1VWL | Kd = 2.33 uM | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
56 | 1VWA | - | PHE SER HIS PRO GLN ASN THR | n/a | n/a |
57 | 2IZG | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
58 | 3MG5 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
59 | 1SRI | Ka = 1200000 M^-1 | DMB | C15 H14 N2 O3 | Cc1cc(cc(c.... |
60 | 1KL5 | Kd = 1.02 uM | ASN TRP SER HIS PRO GLN PHE GLU LYS | n/a | n/a |
61 | 1VWH | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
62 | 1PTS | - | PHE SER HIS PRO GLN ASN THR | n/a | n/a |
63 | 1MK5 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
64 | 1LUQ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
65 | 1VWB | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
66 | 2IZK | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
67 | 1VWE | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
68 | 2RTN | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
69 | 1MEP | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
70 | 3WYP | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
71 | 2RTL | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
72 | 1N9M | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
73 | 1VWI | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
74 | 2IZJ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
75 | 1STR | Kd = 17 uM | ACE CYS HIS PRO GLN ASN THR NH2 | n/a | n/a |
76 | 1VWP | - | ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 | n/a | n/a |
77 | 1VWJ | - | HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA | n/a | n/a |
78 | 1LCV | - | SNR | C9 H14 N2 O3 S | C1[C@H]2[C.... |
79 | 1RSU | Kd = 72 uM | SER ASN TRP SER HIS PRO GLN PHE GLU LYS | n/a | n/a |
80 | 2RTH | - | GLL | C4 H6 N4 O2 | C12C(NC(=O.... |
81 | 5B5F | Kd = 5.6 uM | 6F3 | C14 H12 N2 O4 S | CNS(=O)(=O.... |
82 | 2F01 | Kd ~ 0.1 pM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
83 | 1VWM | - | ACE CYS HIS PRO GLN PHE CYS NH2 | n/a | n/a |
84 | 2GH7 | Kd ~ 0.1 pM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
85 | 4JNJ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
86 | 2JGS | Kd = 0.000000064 M | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
87 | 3SZJ | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
88 | 3T2W | Kd = 0.000000064 M | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
89 | 3RDQ | Kd = 0.49 nM | DTB | C10 H18 N2 O3 | C[C@H]1[C@.... |
90 | 3RDO | Kd = 0.14 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
91 | 3RDM | Kd = 0.14 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
92 | 2OF8 | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
93 | 2FHL | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
94 | 2OFB | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
95 | 3X00 | Kd = 0.83 nM | ZOF ZOF EDN | n/a | n/a |
96 | 2A5C | Kd = 24 uM | 8DA | C10 H15 N5 O4 | C1[C@H]([C.... |
97 | 3VGW | Ka = 200000 M^-1 | NVZ | C12 H18 N2 O4 S | CC(=O)N1[C.... |
98 | 1IJ8 | - | BNI | C16 H20 N4 O4 S | c1cc(ccc1N.... |
99 | 3VHI | Ka = 2300000 M^-1 | VHI | C18 H22 N2 O5 S | c1ccc(cc1).... |
100 | 2A8G | Kd = 205 uM | GNG | C10 H13 N5 O4 | c1nc2c(n1[.... |
101 | 4I60 | Kd = 1.87 uM | B1R | C20 H16 N2 O2 Ru S | C1[C@H]2[C.... |
102 | 5IRW | - | D9P | C26 H26 N2 O2 | C[C@H]1[C@.... |
103 | 5F2B | - | 9RU | C31 H41 Cl2 N5 O2 Ru S | Cc1cc(c(c(.... |
104 | 4OKA | - | 5IR | C18 H26 Ir N5 O4 S2 | c1cc(ccc1N.... |
105 | 6AUL | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
106 | 4GJV | - | 0OD | C21 H32 Cl3 N3 O2 Rh S | CC12=C3([R.... |
107 | 6ESU | Ki = 249.3 mM | 6IR | C18 H27 N5 O4 S2 | c1cc(ccc1N.... |
108 | 4GJS | - | 0OD | C21 H32 Cl3 N3 O2 Rh S | CC12=C3([R.... |
109 | 2WPU | Kd < 60 nM | KYT | C24 H39 Cl N5 O2 Ru S | CC1=[CH]2C.... |
110 | 3PK2 | - | 4IR | C28 H45 Cl Ir N5 O4 S2 | C[CH]12[CH.... |
111 | 6VJL | Kd = 0.000000064 M | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
112 | 6ESS | - | 4IR | C28 H45 Cl Ir N5 O4 S2 | C[CH]12[CH.... |
113 | 2ZSC | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
114 | 3EW2 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
115 | 5N99 | Kd = 61.3 uM | ASN GLN DPR TRP GLN | n/a | n/a |
116 | 4GGZ | Kd = 0.066 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
117 | 2UYW | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
118 | 2UZ2 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
119 | 4GDA | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
120 | 1SWG | Kd = 43.9 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
121 | 4GD9 | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
122 | 4BCS | Kd = 103 nM | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
123 | 4EKV | Kd = 0.000000064 M | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BTQ | 1 | 1 |
2 | BTN | 1 | 1 |
3 | SHM | 0.884615 | 1 |
4 | SNR | 0.807692 | 1 |
5 | BH7 | 0.734375 | 0.921569 |
6 | IMI | 0.644068 | 0.803922 |
7 | BTI | 0.62069 | 0.914894 |
8 | B1R | 0.6 | 0.632353 |
9 | BYT | 0.581081 | 0.87037 |
10 | 41M | 0.554054 | 0.830189 |
11 | BNI | 0.554054 | 0.656716 |
12 | B9P | 0.5 | 0.796296 |
13 | ZOF | 0.493333 | 0.833333 |
14 | LUV | 0.476744 | 0.745763 |
15 | NVZ | 0.457143 | 0.75 |
16 | LH3 | 0.455556 | 0.666667 |
17 | BSO | 0.454545 | 0.79661 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DTB | 0.9754 |
2 | VHH | 0.9565 |
3 | D8I | 0.9028 |
4 | 0V7 | 0.8997 |
5 | IJ1 | 0.8987 |
6 | NRG | 0.8966 |
7 | ZIP | 0.8953 |
8 | WA2 | 0.8941 |
9 | IPL | 0.8935 |
10 | JKK | 0.8927 |
11 | ZEA | 0.8903 |
12 | 0V8 | 0.8900 |
13 | IJ4 | 0.8892 |
14 | G30 | 0.8875 |
15 | KWK | 0.8862 |
16 | 0OP | 0.8849 |
17 | ZEZ | 0.8848 |
18 | 8BD | 0.8846 |
19 | G3M | 0.8838 |
20 | 7HV | 0.8833 |
21 | ZYC | 0.8822 |
22 | P1J | 0.8789 |
23 | SN0 | 0.8787 |
24 | 0QA | 0.8784 |
25 | ALY | 0.8775 |
26 | 12R | 0.8773 |
27 | QUB | 0.8767 |
28 | 3IP | 0.8755 |
29 | 4TX | 0.8753 |
30 | F91 | 0.8752 |
31 | 1KJ | 0.8743 |
32 | 250 | 0.8734 |
33 | 0XR | 0.8733 |
34 | FY8 | 0.8727 |
35 | 4Z0 | 0.8725 |
36 | 3KJ | 0.8721 |
37 | 3D3 | 0.8707 |
38 | ASE | 0.8702 |
39 | HRG | 0.8701 |
40 | JCQ | 0.8700 |
41 | STL | 0.8699 |
42 | RE2 | 0.8692 |
43 | 8CV | 0.8680 |
44 | CWL | 0.8678 |
45 | IBP | 0.8673 |
46 | DNN | 0.8673 |
47 | EMU | 0.8670 |
48 | H35 | 0.8670 |
49 | IJ6 | 0.8661 |
50 | N18 | 0.8650 |
51 | FSA | 0.8636 |
52 | ZE7 | 0.8634 |
53 | HL6 | 0.8632 |
54 | KHP | 0.8624 |
55 | KAP | 0.8623 |
56 | C4E | 0.8621 |
57 | VIO | 0.8620 |
58 | 5ER | 0.8616 |
59 | 1UA | 0.8613 |
60 | DP6 | 0.8609 |
61 | LVP | 0.8609 |
62 | HPK | 0.8604 |
63 | D53 | 0.8600 |
64 | 4U7 | 0.8589 |
65 | FTK | 0.8582 |
66 | EXY | 0.8578 |
67 | 11X | 0.8578 |
68 | TG6 | 0.8555 |
69 | 2M7 | 0.8554 |
70 | 49Z | 0.8540 |
71 | ML1 | 0.8532 |
72 | YIP | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 4ekv.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4ekv.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4ekv.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4ekv.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |