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Receptor
PDB id Resolution Class Description Source Keywords
5UNS 1.9 Å EC: 1.14.13.39 STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN WITH 7-[(3-ETHYL-5-((METHYLAMINO)METHYL)PHENOXY)METHYL]QUINA MINE RATTUS NORVEGICUS NITRIC OXIDE SYNTHASE INHIBITOR COMPLEX HEME ENZYME OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: NITRILE IN THE HOLE: DISCOVERY OF A SMALL AUXILIARY IN NEURONAL NITRIC OXIDE SYNTHASE LEADING TO THE DE OF POTENT AND SELECTIVE 2-AMINOQUINOLINE INHIBITORS J. MED. CHEM. V. 60 3958 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:805;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
HEM B:801;
A:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
ACT A:804;
B:804;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
H4B A:802;
B:802;
Valid;
Valid;
none;
none;
submit data
241.247 C9 H15 N5 O3 C[C@@...
8J4 B:803;
A:803;
Valid;
Valid;
none;
none;
Ki = 0.054 uM
321.416 C20 H23 N3 O CCc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KCL 1.93 Å EC: 1.14.13.39 STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN C WITH N-(4-(2-((3-(THIOPHENE-2-CARBOXIMIDAMIDO)BENZYL)AMINO)P HENYL)THIOPHENE-2-CARBOXIMIDAMIDE RATTUS NORVEGICUS NITRIC OXIDE SYNTHASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITCOMPLEX
Ref.: POTENT AND SELECTIVE DOUBLE-HEADED THIOPHENE-2-CARBOXIMIDAMIDE INHIBITORS OF NEURONAL OXIDE SYNTHASE FOR THE TREATMENT OF MELANOMA. J.MED.CHEM. V. 57 686 2014
Members (278)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5UNZ Ki = 0.061 uM M4R C22 H24 N4 O Cc1cc(nc2c....
2 4UGZ Ki = 130 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
3 6AUV Ki = 47 nM W79 C21 H24 N4 Cc1cc(nc(c....
4 3NLP - H4B C9 H15 N5 O3 C[C@@H]([C....
5 4JSE Ki = 48 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
6 6AV1 Ki = 30 nM W69 C19 H26 F N3 Cc1cc(nc(c....
7 1ZZR Ki = 42 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
8 3NLW Ki = 2.7 uM 3XF C20 H33 F2 N5 O Cc1cc(nc(c....
9 4CTX Ki = 70 nM 71S C22 H28 N6 Cc1cc(nc(c....
10 4D7O Ki = 525 nM 0GD C21 H22 F N3 Cc1cc(nc(c....
11 4CAQ Ki = 0.066 uM M68 C19 H20 Cl N3 c1cc(cc(c1....
12 3N5Y Ki = 99 nM XFL C21 H25 N5 Cc1cc(nc(c....
13 5UNS Ki = 0.054 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
14 5FVW Ki = 13 nM W66 C17 H24 N4 Cc1cc(nc(c....
15 5VUT Ki = 0.019 uM 9OG C20 H20 N4 Cc1cc(nc2c....
16 2HX3 Ki = 0.12 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
17 3JX3 Ki = 180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
18 4UPN Ki = 0.0147 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
19 5ADI Ki = 0.507 uM TUE C17 H16 N4 O C=NCc1cc(c....
20 4KCN Ki = 0.011 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
21 1LZX - H4B C9 H15 N5 O3 C[C@@H]([C....
22 1MMW - H4B C9 H15 N5 O3 C[C@@H]([C....
23 6AV4 Ki = 100 nM W80 C21 H24 N4 Cc1cc(nc(c....
24 5VUY Ki = 0.274 uM P64 C20 H24 N4 CN(C)c1ccc....
25 4UH4 Ki = 24 nM Q1T C19 H25 N5 Cc1cc(nc(c....
26 4CX4 - HW9 C22 H32 N4 O Cc1ccnc(c1....
27 3JT6 Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
28 5UNY Ki = 0.05 uM M4R C22 H24 N4 O Cc1cc(nc2c....
29 3JX1 Ki = 290 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
30 3NLM Ki = 7.2 nM JRR C21 H29 F N4 O Cc1cc(nc(c....
31 4CAM Ki = 0.075 uM M87 C18 H18 F N3 c1cc(cc(c1....
32 1OM5 - H4B C9 H15 N5 O3 C[C@@H]([C....
33 4D31 Ki = 0.183 uM OLW C17 H16 N6 c1cc(cc(c1....
34 5AD8 Ki = 0.16 uM 9M9 C17 H17 N3 O c1cc(cc(c1....
35 5UNU Ki = 0.033 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
36 3UFT Ki = 0.117 uM HW7 C21 H27 Cl F N3 O2 Cc1cc(nc(c....
37 3N63 - XFN C22 H27 N5 Cc1cc(nc(c....
38 3TYL Ki = 0.41 uM AXW C20 H27 F N4 O Cc1cc(nc(c....
39 4EUX Ki = 0.038 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
40 1QWC - H4B C9 H15 N5 O3 C[C@@H]([C....
41 4IMT Ki = 0.11 uM 1EW C25 H33 N5 Cc1cc(nc(c....
42 3JTA Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
43 3Q99 - H4B C9 H15 N5 O3 C[C@@H]([C....
44 3DQR Ki = 0.388 uM JI2 C12 H21 N5 c1cc(nc(c1....
45 5VV4 Ki = 0.02 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
46 3B3M Ki = 47.94 uM JI1 C13 H22 N4 O c1cc(nc(c1....
47 5G0O Ki = 748 nM W64 C18 H25 N5 Cc1cc(nc(c....
48 6AUR Ki = 41 nM W68 C18 H24 F N3 Cc1cc(nc(c....
49 4K5F Ki = 232 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
50 5FVO - D8H C17 H24 N4 O Cc1cc(nc(c....
51 3JT7 Ki = 59 uM JM5 C10 H21 N3 O2 S [H]/N=C(/C....
52 5AD5 Ki = 0.332 uM M94 C19 H21 N3 O CNCCc1cccc....
53 6AUW Ki = 57 nM W80 C21 H24 N4 Cc1cc(nc(c....
54 4K5E Ki = 32 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
55 6AV2 - BY7 C20 H26 F3 N3 Cc1cc(nc(c....
56 4JSF Ki = 86 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
57 1M00 - BHH C5 H13 N3 O CCCCNC(=N)....
58 3JWU Ki = 171 nM J11 C21 H30 F N5 Cc1cc(nc(c....
59 5FVQ Ki = 43 nM W64 C18 H25 N5 Cc1cc(nc(c....
60 3UFU Ki = 0.074 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
61 5VV1 Ki = 0.073 uM 9OS C19 H22 N4 O COc1ccncc1....
62 1ZVI - H4B C9 H15 N5 O3 C[C@@H]([C....
63 5VUV Ki = 0.768 uM M62 C16 H14 F N3 c1cc(cc(c1....
64 3NLN - H4B C9 H15 N5 O3 C[C@@H]([C....
65 1OM4 - H4B C9 H15 N5 O3 C[C@@H]([C....
66 3B3P Ki = 0.25 uM JI7 C20 H28 Cl N5 Cc1cc(nc(c....
67 3N5V - H4B C9 H15 N5 O3 C[C@@H]([C....
68 4CTW Ki = 24 nM S71 C22 H28 N6 Cc1cc(nc(c....
69 4CTP Ki = 144 nM 2IK C22 H27 N5 Cc1cc(nc(c....
70 4CTT Ki = 903 nM S7K C22 H26 N4 Cc1ccnc(c1....
71 4FVW - H4B C9 H15 N5 O3 C[C@@H]([C....
72 6AV5 Ki = 83 nM W82 C22 H24 F N3 Cc1cc(nc(c....
73 3HSO - H4B C9 H15 N5 O3 C[C@@H]([C....
74 6CIC - H4B C9 H15 N5 O3 C[C@@H]([C....
75 5ADB Kd = 0.058 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
76 4CTR Ki = 70 nM S20 C22 H26 N4 O Cc1cc(nc(c....
77 1LZZ - H4B C9 H15 N5 O3 C[C@@H]([C....
78 3TYN Ki = 0.39 uM CXW C20 H28 N4 O2 Cc1cc(nc(c....
79 4KCM Ki = 0.049 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
80 3UFR Ki = 0.637 uM H5W C21 H26 F N3 O Cc1cc(nc(c....
81 4K5D Ki = 382 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
82 3B3N Ki = 388 nM JI2 C12 H21 N5 c1cc(nc(c1....
83 5AGN Ki = 1.5 uM 4JK C7 H15 N3 O3 [H]/N=C(CO....
84 4UH6 Ki = 55 nM Q1T C19 H25 N5 Cc1cc(nc(c....
85 5UNX Ki = 0.042 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
86 3JWT Ki = 5.3 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
87 3JX5 - H4B C9 H15 N5 O3 C[C@@H]([C....
88 3NNY Ki = 50 nM 59R C20 H27 F N4 O c1cc(cc(c1....
89 4CTV Ki = 123 nM 7S7 C22 H28 N6 Cc1cc(nc(c....
90 2G6K - H4B C9 H15 N5 O3 C[C@@H]([C....
91 1VAG - H4B C9 H15 N5 O3 C[C@@H]([C....
92 4UCH Ki = 0.138 uM OLW C17 H16 N6 c1cc(cc(c1....
93 3N5X Ki = 103 nM XFK C21 H25 N5 Cc1cc(nc(c....
94 5VV3 Ki = 0.032 uM P94 C19 H18 N4 c1cc(ccc1C....
95 5VUM Ki = 0.038 uM XH8 C18 H20 N4 c1cc(cnc1)....
96 6CID - F2J C18 H20 N4 S [H]/N=C(c1....
97 6AUS Ki = 252 nM BYV C19 H24 N4 Cc1cc(nc(c....
98 3NLK Ki = 116 nM JSS C21 H29 F N4 O Cc1cc(nc(c....
99 3N61 - H4B C9 H15 N5 O3 C[C@@H]([C....
100 5UO6 Ki = 0.065 uM M4R C22 H24 N4 O Cc1cc(nc2c....
101 4FVX Ki = 26 uM 2KJ C8 H18 N4 O3 [H]/N=C(NC....
102 1P6J Ki = 0.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
103 4JSG Ki = 60 nM Q10 C16 H21 N3 O2 Cc1cc(nc(c....
104 4GQE Ki = 7.4 mM 6KJ C10 H20 N4 O3 [H]/N=C(NO....
105 4IMU Ki = 0.053 uM 1ET C23 H29 N5 Cc1cc(nc(c....
106 5VUI Ki = 0.575 uM M62 C16 H14 F N3 c1cc(cc(c1....
107 3N65 - H4B C9 H15 N5 O3 C[C@@H]([C....
108 2G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
109 4D1N - H4B C9 H15 N5 O3 C[C@@H]([C....
110 2G6L - HBI C9 H13 N5 O3 C[C@@H]([C....
111 6AUU Ki = 541 nM BY7 C20 H26 F3 N3 Cc1cc(nc(c....
112 3HSN - H4B C9 H15 N5 O3 C[C@@H]([C....
113 3NLR - H4B C9 H15 N5 O3 C[C@@H]([C....
114 3NLZ Ki = 0.085 uM 3XD C21 H28 F2 N4 O Cc1cc(nc(c....
115 5UO4 Ki = 0.061 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
116 5VUU Ki = 0.025 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
117 3N62 - H4B C9 H15 N5 O3 C[C@@H]([C....
118 5ADC Ki = 0.043 uM TUE C17 H16 N4 O C=NCc1cc(c....
119 5VUZ Ki = 0.108 uM XH8 C18 H20 N4 c1cc(cnc1)....
120 4V3U Ki = 0.125 uM EG8 C17 H20 N6 c1cc(cnc1)....
121 4D32 Ki = 0.06 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
122 5VUO Ki = 0.05 uM 9OS C19 H22 N4 O COc1ccncc1....
123 4KCO Ki = 0.073 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
124 4FVY - 3KJ C7 H16 N4 O3 [H]/N=C(/N....
125 5AD7 Ki = 0.569 uM M85 C18 H19 N3 O CNCc1cccc(....
126 5AGK Ki = 53 uM RGE C8 H17 N3 O3 S [H]/N=C(CS....
127 4KCK Ki = 0.005 uM H45 C25 H25 N5 S2 [H]/N=C(c1....
128 5UO5 Ki = 0.074 uM M4R C22 H24 N4 O Cc1cc(nc2c....
129 3UFS Ki = 0.23 uM HW6 C22 H29 Cl F N3 O Cc1cc(nc(c....
130 5VUX Ki = 0.764 uM 9P1 C19 H22 N4 CN(C)c1ccc....
131 6AUT Ki = 26 nM W69 C19 H26 F N3 Cc1cc(nc(c....
132 3JX6 Ki = 2180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
133 4D2Y Ki = 0.018 uM L5Z C19 H20 F N5 c1cc(cc(c1....
134 1K2U - H4B C9 H15 N5 O3 C[C@@H]([C....
135 1ZZU Ki = 63.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
136 4JSH Ki = 117 nM Q15 C19 H25 N3 O2 Cc1cc(nc(c....
137 4IMW Ki = 0.056 uM 1EV C23 H25 N5 Cc1cc(nc(c....
138 3UFP Ki = 0.922 uM H4W C22 H30 F N3 O Cc1cc(nc(c....
139 5G0N Ki = 139.4 nM EXI C17 H25 N5 Cc1cc(nc(c....
140 2G6I - HBI C9 H13 N5 O3 C[C@@H]([C....
141 3N60 Ki = 85 nM XFN C22 H27 N5 Cc1cc(nc(c....
142 5VV5 Ki = 0.03 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
143 5VUK Ki = 0.522 uM 9P1 C19 H22 N4 CN(C)c1ccc....
144 5AD4 Ki = 0.468 uM 6M8 C20 H23 N3 O CN(C)CCc1c....
145 3PNF Ki = 0.17 uM 8BX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
146 3SVP Ki = 0.077 uM JK5 C21 H26 Cl F3 N4 O Cc1cc(nc(c....
147 6AUQ Ki = 48 nM BYJ C18 H25 N3 Cc1cc(nc(c....
148 5UO3 - 8EY C20 H20 N4 O Cc1cc(nc2c....
149 4CX3 - HW8 C21 H30 N4 O Cc1cc(nc(c....
150 5AGP Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
151 4JSI Ki = 40 nM Q05 C22 H24 F N3 O Cc1cc(nc(c....
152 5VUW Ki = 1.02 uM JHT C19 H22 N4 CN(C)c1ccc....
153 4FVZ Ki = 28 uM 4KJ C8 H16 N4 O3 [H]/N=C(/N....
154 3JWV Ki = 18.9 nM J14 C21 H30 F N5 Cc1cc(nc(c....
155 6AUZ Ki = 65 nM W68 C18 H24 F N3 Cc1cc(nc(c....
156 2HX4 Ki = 0.31 uM 4HX C11 H22 N8 O5 [H]/N=C(/N....
157 5ADF Ki = 0.657 uM 2SN C19 H22 N4 CN(C)Cc1cc....
158 5VV0 Ki = 0.13 uM 9OM C19 H22 N4 Cc1ccncc1C....
159 4D3B Ki = 0.368 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
160 3HSP - H4B C9 H15 N5 O3 C[C@@H]([C....
161 5FVT Ki = 25 nM W67 C18 H26 N4 Cc1cc(nc(c....
162 4V3X Ki = 0.138 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
163 5AGL Ki = 58.3 uM CCW C8 H17 N3 O4 S CS(=O)(=O)....
164 4D30 Ki = 0.054 uM EG8 C17 H20 N6 c1cc(cnc1)....
165 4CTU Ki = 53 nM S42 C23 H29 N5 Cc1cc(nc(c....
166 5UO0 Ki = 0.05 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
167 3N2R Ki = 3 uM XJH C22 H23 N3 O2 c1ccc(cc1)....
168 3NLX Ki = 0.036 uM 3XB C21 H27 F3 N4 O Cc1cc(nc(c....
169 4CAP Ki = 0.06 uM ML6 C19 H20 F N3 c1cc(cc(c1....
170 5FVU Ki = 84 nM W64 C18 H25 N5 Cc1cc(nc(c....
171 3NLJ - H4B C9 H15 N5 O3 C[C@@H]([C....
172 5AGM Ki = 22.9 uM WT2 C7 H13 N3 O3 C(C[C@@H](....
173 4KCJ Ki = 0.13 uM H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
174 5FVX Ki = 37 nM W67 C18 H26 N4 Cc1cc(nc(c....
175 4UPO Ki = 0.0281 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
176 1K2T - H4B C9 H15 N5 O3 C[C@@H]([C....
177 5VUN Ki = 0.09 uM 9OM C19 H22 N4 Cc1ccncc1C....
178 3JT4 Ki = 33 uM JM8 C10 H21 N3 O2 S [H]/N=C(CC....
179 5ADD - M85 C18 H19 N3 O CNCc1cccc(....
180 4V3W Ki = 0.183 uM E2Z C17 H18 F N5 c1cc(cc(c1....
181 3NLQ - H4B C9 H15 N5 O3 C[C@@H]([C....
182 5VUS Ki = 0.031 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
183 4UH5 Ki = 59 nM EXI C17 H25 N5 Cc1cc(nc(c....
184 3JWS Ki = 52.2 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
185 3UFV Ki = 0.031 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
186 5UNV Ki = 0.033 uM 8J7 C20 H23 N3 Cc1cc(nc2c....
187 3NNZ Ki = 220 nM 59W C20 H27 F N4 O c1cc(cc(c1....
188 3JX4 - H4B C9 H15 N5 O3 C[C@@H]([C....
189 3N64 - XFN C22 H27 N5 Cc1cc(nc(c....
190 5VUJ Ki = 0.421 uM JHT C19 H22 N4 CN(C)c1ccc....
191 3JT3 Ki = 0.9 uM JM2 C8 H17 N3 O2 S [H]/N=C(CS....
192 5ADE - XEB C18 H18 Cl N3 O CNCc1cc(cc....
193 2G6J - 7AP C9 H12 N6 O2 C[C@@H]([C....
194 3UFQ Ki = 15.402 uM HW5 C22 H28 F N3 O Cc1cc(nc(c....
195 3TYM Ki = 0.82 uM 08R C21 H30 N4 O2 Cc1cc(nc(c....
196 4JSJ Ki = 140 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
197 4UH1 Ki = 17 nM EXI C17 H25 N5 Cc1cc(nc(c....
198 5AD9 Ki = 0.283 uM 8VJ C19 H21 N3 O CN(C)Cc1cc....
199 3SVQ Ki = 0.18 uM JK4 C21 H26 F4 N4 O Cc1cc(nc(c....
200 1P6I Ki = 0.15 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
201 3Q9A - H4B C9 H15 N5 O3 C[C@@H]([C....
202 4CAO Ki = 0.164 uM M46 C20 H22 F N3 c1cc(cc(c1....
203 4V3Y Ki = 0.032 uM HLW C18 H20 Cl N5 c1cc(cc(c1....
204 5VUR Ki = 0.021 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
205 5G0P Ki = 108 nM W67 C18 H26 N4 Cc1cc(nc(c....
206 5UO2 Ki = 0.125 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
207 2G6N - HBI C9 H13 N5 O3 C[C@@H]([C....
208 5ADG Ki = 0.295 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
209 4UPP Ki = 0.0282 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
210 4LUX Kd = 0.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
211 4CX5 - HW8 C21 H30 N4 O Cc1cc(nc(c....
212 4V3V Ki = 0.138 uM S8F C17 H18 F N5 c1cc(cc(c1....
213 6AUX Ki = 44 nM W82 C22 H24 F N3 Cc1cc(nc(c....
214 4K5G Ki = 37 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
215 3NLY Ki = 0.16 uM 3XC C21 H27 F3 N4 O Cc1cc(nc(c....
216 5FVP Ki = 547 nM WOS C17 H22 N4 O Cc1cc(nc(c....
217 3JT5 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
218 5AGO Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
219 5VUP Ki = 0.216 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
220 5FW0 Ki = 1768 nM W30 C17 H24 N4 O Cc1cc(nc(c....
221 4KCI Ki = 0.739 uM 1QE C24 H22 N4 S2 [H]/N=C(Nc....
222 4UPM Ki = 0.059 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
223 3PNE Ki = 0.086 uM 8AX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
224 5UNW Ki = 0.036 uM 8F7 C21 H22 N4 Cc1cc(nc2c....
225 4V3Z Ki = 0.056 uM 9HL C19 H20 F N5 c1cc(cc(c1....
226 5FVR Ki = 72 nM H65 C19 H26 N4 Cc1cc(nc(c....
227 4CDT Ki = 0.049 uM M48 C19 H20 F N3 c1cc(cc(c1....
228 4FW0 Ki > 10 mM 5KJ C7 H16 N4 O3 [H]/N=C(NO....
229 4UH2 Ki = 67 nM S84 C19 H25 F3 N4 Cc1cc(nc(c....
230 5UO7 Ki = 0.046 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
231 3JT8 - H4B C9 H15 N5 O3 C[C@@H]([C....
232 1ZVL - H4B C9 H15 N5 O3 C[C@@H]([C....
233 4CTQ Ki = 122 nM S5D C22 H27 N5 Cc1cc(nc(c....
234 4IMS Ki = 0.54 uM 12S C25 H33 N5 Cc1cc(nc(c....
235 3TYO Ki = 0.4 uM DXW C18 H26 N4 O2 Cc1cc(nc(c....
236 1RS7 - D7P C15 H25 N7 O4 c1ccc(cc1)....
237 4KCL Ki = 0.005 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
238 3NLO - H4B C9 H15 N5 O3 C[C@@H]([C....
239 4UH0 Ki = 35 nM SKO C17 H25 N5 Cc1cc(nc(c....
240 3UFO Ki = 9.057 uM HW4 C22 H30 F N3 O Cc1cc(nc(c....
241 4D2Z Ki = 0.15 uM K9L C19 H20 F N5 c1cc(cc(c1....
242 5UNR Ki = 0.035 uM 8EV C19 H18 N4 O CNCc1cc(cc....
243 5ADA Ki = 0.375 uM 2SN C19 H22 N4 CN(C)Cc1cc....
244 1P6K Ki = 67 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
245 5FVV Ki = 89 nM H65 C19 H26 N4 Cc1cc(nc(c....
246 6AV0 Ki = 516 nM BYV C19 H24 N4 Cc1cc(nc(c....
247 3JX2 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
248 3UFW Ki = 0.03 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
249 5VV2 Ki = 0.164 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
250 5UO1 Ki = 0.036 uM 8EV C19 H18 N4 O CNCc1cc(cc....
251 3N5W Ki = 25 nM XFJ C21 H25 N5 Cc1cc(nc(c....
252 3PNG Ki = 0.026 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
253 3B3O Ki = 0.085 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
254 4C39 Ki = 9.7 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
255 5VUL Ki = 0.036 uM P64 C20 H24 N4 CN(C)c1ccc....
256 1K2R - H4B C9 H15 N5 O3 C[C@@H]([C....
257 1QW6 - H4B C9 H15 N5 O3 C[C@@H]([C....
258 3JT9 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
259 3JX0 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
260 5AD6 Ki = 0.179 uM 7M3 C19 H21 N3 O CN(C)Cc1cc....
261 1MMV - H4B C9 H15 N5 O3 C[C@@H]([C....
262 4UH3 Ki = 34 nM S85 C18 H25 F N4 Cc1cc(nc(c....
263 1ZZQ Ki = 20 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
264 6AV3 Ki = 82 nM W79 C21 H24 N4 Cc1cc(nc(c....
265 1P6H Ki = 0.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
266 6AUY Ki = 55 nM BYJ C18 H25 N3 Cc1cc(nc(c....
267 5FVS Ki = 16 nM W66 C17 H24 N4 Cc1cc(nc(c....
268 3NM0 Ki = 0.17 uM 3XE C21 H32 F2 N4 O C[C@H]1C[C....
269 3N66 - XFN C22 H27 N5 Cc1cc(nc(c....
270 5VUQ Ki = 0.037 uM P94 C19 H18 N4 c1cc(ccc1C....
271 2G6M - H4B C9 H15 N5 O3 C[C@@H]([C....
272 3NLV Ki = 0.39 uM 3XA C21 H27 F3 N4 O Cc1cc(nc(c....
273 3N5Z Ki = 195 nM XFM C21 H25 N5 Cc1cc(nc(c....
274 1RS6 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
275 4CAN Ki = 0.254 uM M7K C18 H18 F N3 c1cc(cc(c1....
276 4CX6 - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
277 4KCH Ki = 0.787 uM H38 C22 H18 N4 S2 [H]/N=C(Nc....
278 5UNT Ki = 0.039 uM 8J1 C19 H21 N3 O Cc1cc(nc2c....
70% Homology Family (448)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4UPR Ki = 16.68 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
2 1FOJ - 7NI C7 H5 N3 O2 c1cc2cn[nH....
3 3N6A - H4B C9 H15 N5 O3 C[C@@H]([C....
4 1ED5 - NRG C6 H13 N5 O4 [H]/N=C(NC....
5 5UO9 Ki = 43 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
6 6CIF - F2J C18 H20 N4 S [H]/N=C(c1....
7 1Q2O Ki = 9.5 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
8 4D36 Ki = 8.1 uM HLW C18 H20 Cl N5 c1cc(cc(c1....
9 1DM7 - HRG C7 H16 N4 O2 C(CCNC(=N)....
10 5NSE - HAR C6 H14 N4 O3 C(C[C@@H](....
11 3NLF Ki = 18.78 uM JRS C21 H29 F N4 O Cc1cc(nc(c....
12 4CWW Ki = 45.2 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
13 1M9K Kd ~ 250 uM 7NI C7 H5 N3 O2 c1cc2cn[nH....
14 3N67 - H4B C9 H15 N5 O3 C[C@@H]([C....
15 4UHA Ki = 24950 nM S49 C29 H33 N5 O4 S [H]/N=C(/c....
16 1FOP - ARG C6 H15 N4 O2 C(C[C@@H](....
17 4D1P - H4B C9 H15 N5 O3 C[C@@H]([C....
18 5VVD - H4B C9 H15 N5 O3 C[C@@H]([C....
19 3JWZ Ki = 57100 nM J14 C21 H30 F N5 Cc1cc(nc(c....
20 4CU0 Ki = 68520 nM S71 C22 H28 N6 Cc1cc(nc(c....
21 3N6E - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
23 4D34 Ki = 10.5 uM E2Z C17 H18 F N5 c1cc(cc(c1....
24 1FOI - 14W C10 H15 N3 [H]/N=C(/C....
25 5FVY - H4B C9 H15 N5 O3 C[C@@H]([C....
26 4IMX Ki = 26.4 uM 1EV C23 H25 N5 Cc1cc(nc(c....
27 5ADM - 9M9 C17 H17 N3 O c1cc(cc(c1....
28 2G6O - ARG C6 H15 N4 O2 C(C[C@@H](....
29 3JWY Ki = 34500 nM J11 C21 H30 F N5 Cc1cc(nc(c....
30 4K5I Ki = 15213 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
31 5FJ2 - XEB C18 H18 Cl N3 O CNCc1cc(cc....
32 4CWZ - H4B C9 H15 N5 O3 C[C@@H]([C....
33 4CVG - ARG C6 H15 N4 O2 C(C[C@@H](....
34 1D1W Ki = 0.35 uM ATQ C3 H6 N2 S C1CSC(=N1)....
35 4D39 Ki = 10.5 uM OLW C17 H16 N6 c1cc(cc(c1....
36 1ZZS Ki = 5.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
37 4UPS Ki = 3.63 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
38 5VV8 Ki = 0.092 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
39 4KCQ Ki = 41.4 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
40 4JSK Ki = 979 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
41 5ADL - H4B C9 H15 N5 O3 C[C@@H]([C....
42 9NSE Ki = 0.039 uM ISU C3 H8 N2 Se [H]/N=C(/N....
43 3DQS Ki = 85.2 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
44 5VV9 Ki = 1.22 uM 9OG C20 H20 N4 Cc1cc(nc2c....
45 4CUN - ARG C6 H15 N4 O2 C(C[C@@H](....
46 1P6N Ki = 110 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
47 5FVZ Ki = 16637 nM W67 C18 H26 N4 Cc1cc(nc(c....
48 4CUM - WS7 C11 H15 N5 O CC12CCCCC1....
49 1D1V - H4B C9 H15 N5 O3 C[C@@H]([C....
50 6AV6 Ki = 39505 nM W68 C18 H24 F N3 Cc1cc(nc(c....
51 4KCS Ki = 21.7 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
52 4K5K Ki = 2542 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
53 4CWY Ki = 26.1 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
54 3NLG Ki = 36.19 uM JSR C21 H29 F N4 O Cc1cc(nc(c....
55 3NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
56 4UPQ Ki = 12.44 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
57 1D1Y - 3BT C12 H18 N4 S2 [H]/N=C(N)....
58 1DMK - AP6 C12 H14 N6 c1ccc(cc1)....
59 4D37 Ki = 4 uM 9HL C19 H20 F N5 c1cc(cc(c1....
60 6AV7 Ki = 83976 nM W69 C19 H26 F N3 Cc1cc(nc(c....
61 4UH7 Ki = 20240 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
62 3N5P Ki = 20000 nM XFM C21 H25 N5 Cc1cc(nc(c....
63 3NLD Ki = 26.2 uM JSS C21 H29 F N4 O Cc1cc(nc(c....
64 4CX2 - H2B C9 H13 N5 O3 C[C@@H]([C....
65 4CAR Ki = 0.485 uM M87 C18 H18 F N3 c1cc(cc(c1....
66 4JSL Ki = 2154 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
67 6NSE - GGB C5 H12 N4 O3 [H]/N=C(N)....
68 5VVB - 9P7 C20 H20 N4 Cc1cc(ccc1....
69 4K5H Ki = 26446 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
70 4C3A Ki = 6727 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
71 5UOB Ki = 16.1 uM M4R C22 H24 N4 O Cc1cc(nc2c....
72 1M9J Kd ~ 0.6 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
73 1FOL - ARG C6 H15 N4 O2 C(C[C@@H](....
74 1D0O - INE C7 H4 Br N3 O2 c1cc2c(c(c....
75 5VV6 Ki = 1.57 uM P64 C20 H24 N4 CN(C)c1ccc....
76 4JSM Ki = 10366 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
77 4UH8 Ki = 12910 nM EXI C17 H25 N5 Cc1cc(nc(c....
78 4CX1 - H2B C9 H13 N5 O3 C[C@@H]([C....
79 1P6L Ki = 107 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
80 1NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
81 4KCR Ki = 0.9 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
82 5VVC - 9OJ C21 H22 N4 Cc1cc(ccc1....
83 1ED6 - ILO C7 H15 N3 O2 CC(=N)NCCC....
84 1RS8 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
85 3NLI - H4B C9 H15 N5 O3 C[C@@H]([C....
86 7NSE - DA2 C8 H18 N4 O2 [H]/N=C(/N....
87 1DM6 - PH3 C7 H8 Cl N3 O c1cc(ccc1N....
88 5UOA Ki = 5.63 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
89 5ADN - H4B C9 H15 N5 O3 C[C@@H]([C....
90 3N6F - H4B C9 H15 N5 O3 C[C@@H]([C....
91 4UH9 Ki = 30238 nM S85 C18 H25 F N4 Cc1cc(nc(c....
92 1DMJ - AP4 C8 H9 N5 O3 C1[C@@H]2C....
93 2NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
94 1D1X - H4B C9 H15 N5 O3 C[C@@H]([C....
95 4LUW Kd = 2.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
96 3NOS - HAR C6 H14 N4 O3 C(C[C@@H](....
97 3EAH ic50 = 0.04 uM 327 C10 H14 N2 O S [H]/N=C/1c....
98 4D35 Ki = 4 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
99 1D0C - INE C7 H4 Br N3 O2 c1cc2c(c(c....
100 4CWV Ki = 148.9 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
101 4K5J Ki = 20196 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
102 1P6M Ki = 80 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
103 5UO8 Ki = 12.3 uM 8EV C19 H18 N4 O CNCc1cc(cc....
104 4CUL - ARG C6 H15 N4 O2 C(C[C@@H](....
105 4D3A Ki = 15.4 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
106 5UOD - 8EY C20 H20 N4 O Cc1cc(nc2c....
107 5VVG Ki = 0.115 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
108 1FOO - ARG C6 H15 N4 O2 C(C[C@@H](....
109 1M9Q - 5NI C7 H5 N3 O2 c1cc2c(cc1....
110 3PNH Ki = 19 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
111 4D1O - ARG C6 H15 N4 O2 C(C[C@@H](....
112 4D38 Ki = 10.32 uM L5Z C19 H20 F N5 c1cc(cc(c1....
113 5FJ3 Ki = 12.5 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
114 5VVN Ki = 0.581 uM P94 C19 H18 N4 c1cc(ccc1C....
115 1DM8 - H4B C9 H15 N5 O3 C[C@@H]([C....
116 5UOC Ki = 22.2 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
117 4D33 Ki = 40 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
118 2HX2 Ki = 73 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
119 1I83 - NTU C18 H38 N4 S2 CS/C(=NCCC....
120 1ED4 Ki = 0.022 uM IPU C4 H10 N2 S CC(C)SC(=N....
121 5VV7 Ki = 1.04 uM XH8 C18 H20 N4 c1cc(cnc1)....
122 4KCP Ki = 2.7 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
123 1RS9 - D7P C15 H25 N7 O4 c1ccc(cc1)....
124 4UPT Ki = 3.34 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
125 4CX0 - H4B C9 H15 N5 O3 C[C@@H]([C....
126 1M9M - 6NI C7 H5 N3 O2 c1cc2cn[nH....
127 3JWX Ki = 20300 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
128 4CTZ Ki = 328000 nM S7K C22 H26 N4 Cc1ccnc(c1....
129 5ADK - H4B C9 H15 N5 O3 C[C@@H]([C....
130 3N5S Ki = 16100 nM XFK C21 H25 N5 Cc1cc(nc(c....
131 1ZZT Ki = 1.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
132 3JWW Ki = 26400 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
133 4CTY Ki = 14390 nM S5D C22 H27 N5 Cc1cc(nc(c....
134 5ADJ - M94 C19 H21 N3 O CNCCc1cccc....
135 3N6G - H4B C9 H15 N5 O3 C[C@@H]([C....
136 3NLE Ki = 19.2 uM JRR C21 H29 F N4 O Cc1cc(nc(c....
137 8NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
138 6CIE - 7R2 C19 H26 N4 S [H]/N=C(c1....
139 1DMI - BHS C9 H15 N5 O3 C[C@H]([C@....
140 3NLH - H4B C9 H15 N5 O3 C[C@@H]([C....
141 4CWX Ki = 33.5 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
142 1DWV - HAR C6 H14 N4 O3 C(C[C@@H](....
143 2ORS - 391 C21 H16 N4 O4 Cc1cc(nc(n....
144 1M8D Kd ~ 4.3 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
145 1DF1 - ITU C3 H8 N2 S CCSC(=N)N
146 2NOS - AGU C H6 N4 C(=N)(N)NN
147 1R35 ic50 = 6.09 uM I58 C8 H16 F N3 O2 [H]/N=C(/C....
148 2ORR - 333 C20 H14 N4 O4 c1cc(ccc1n....
149 1DD7 ic50 = 28 nM 1PM C23 H25 N7 O5 COC(=O)N1C....
150 3NQS - H4B NO n/a n/a
151 2ORO ic50 = 0.29 nM 228 C22 H24 N6 O3 Cc1cc(nc(n....
152 3EAI ic50 = 0.074 uM 328 C19 H20 N4 O2 COc1ccnc(c....
153 1N2N - H4B C9 H15 N5 O3 C[C@@H]([C....
154 1M9T - H4B C9 H15 N5 O3 C[C@@H]([C....
155 2ORP ic50 = 1.9 nM R86 C27 H35 N7 O3 Cc1cc(nc(n....
156 3EBF ic50 = 0.4 uM 332 C17 H19 N3 O2 S c1cc2c(cc1....
157 1QW4 - H4B C9 H15 N5 O3 C[C@@H]([C....
158 1JWK - HBI C9 H13 N5 O3 C[C@@H]([C....
159 2ORQ - MR1 C8 H9 N O2 c1cc2c(cc1....
160 3E6N ic50 = 0.015 uM AS3 C9 H14 N2 CCCc1cc(cc....
161 3E65 ic50 = 0.13 uM XXZ C20 H22 F N5 O c1cc2c(c(c....
162 3E6T ic50 = 1.2 uM 1A2 C21 H22 F2 N6 O CCN1c2c(cc....
163 3E7M - H4B C9 H15 N5 O3 C[C@@H]([C....
164 1DWW - HAR C6 H14 N4 O3 C(C[C@@H](....
165 3E68 ic50 = 0.12 uM AT6 C16 H16 N4 O Cc1cc(nc(c....
166 3E6L ic50 = 0.72 uM A11 C13 H18 Cl N3 O2 CCOC(=O)N1....
167 3EBD ic50 = 0.04 uM 329 C8 H10 N2 O S C[C@H]1CN=....
168 2ORT - 342 C22 H23 N3 O3 c1cc(ccc1n....
169 5UNZ Ki = 0.061 uM M4R C22 H24 N4 O Cc1cc(nc2c....
170 4UGZ Ki = 130 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
171 6AUV Ki = 47 nM W79 C21 H24 N4 Cc1cc(nc(c....
172 3NLP - H4B C9 H15 N5 O3 C[C@@H]([C....
173 4JSE Ki = 48 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
174 6AV1 Ki = 30 nM W69 C19 H26 F N3 Cc1cc(nc(c....
175 1ZZR Ki = 42 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
176 3NLW Ki = 2.7 uM 3XF C20 H33 F2 N5 O Cc1cc(nc(c....
177 4CTX Ki = 70 nM 71S C22 H28 N6 Cc1cc(nc(c....
178 4D7O Ki = 525 nM 0GD C21 H22 F N3 Cc1cc(nc(c....
179 4CAQ Ki = 0.066 uM M68 C19 H20 Cl N3 c1cc(cc(c1....
180 3N5Y Ki = 99 nM XFL C21 H25 N5 Cc1cc(nc(c....
181 5UNS Ki = 0.054 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
182 5FVW Ki = 13 nM W66 C17 H24 N4 Cc1cc(nc(c....
183 5VUT Ki = 0.019 uM 9OG C20 H20 N4 Cc1cc(nc2c....
184 2HX3 Ki = 0.12 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
185 3JX3 Ki = 180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
186 4UPN Ki = 0.0147 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
187 5ADI Ki = 0.507 uM TUE C17 H16 N4 O C=NCc1cc(c....
188 4KCN Ki = 0.011 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
189 1LZX - H4B C9 H15 N5 O3 C[C@@H]([C....
190 1MMW - H4B C9 H15 N5 O3 C[C@@H]([C....
191 6AV4 Ki = 100 nM W80 C21 H24 N4 Cc1cc(nc(c....
192 5VUY Ki = 0.274 uM P64 C20 H24 N4 CN(C)c1ccc....
193 4UH4 Ki = 24 nM Q1T C19 H25 N5 Cc1cc(nc(c....
194 4CX4 - HW9 C22 H32 N4 O Cc1ccnc(c1....
195 3JT6 Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
196 5UNY Ki = 0.05 uM M4R C22 H24 N4 O Cc1cc(nc2c....
197 3JX1 Ki = 290 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
198 3NLM Ki = 7.2 nM JRR C21 H29 F N4 O Cc1cc(nc(c....
199 4CAM Ki = 0.075 uM M87 C18 H18 F N3 c1cc(cc(c1....
200 1OM5 - H4B C9 H15 N5 O3 C[C@@H]([C....
201 4D31 Ki = 0.183 uM OLW C17 H16 N6 c1cc(cc(c1....
202 5AD8 Ki = 0.16 uM 9M9 C17 H17 N3 O c1cc(cc(c1....
203 5UNU Ki = 0.033 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
204 3UFT Ki = 0.117 uM HW7 C21 H27 Cl F N3 O2 Cc1cc(nc(c....
205 3N63 - XFN C22 H27 N5 Cc1cc(nc(c....
206 3TYL Ki = 0.41 uM AXW C20 H27 F N4 O Cc1cc(nc(c....
207 4EUX Ki = 0.038 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
208 1QWC - H4B C9 H15 N5 O3 C[C@@H]([C....
209 4IMT Ki = 0.11 uM 1EW C25 H33 N5 Cc1cc(nc(c....
210 3JTA Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
211 3Q99 - H4B C9 H15 N5 O3 C[C@@H]([C....
212 3DQR Ki = 0.388 uM JI2 C12 H21 N5 c1cc(nc(c1....
213 5VV4 Ki = 0.02 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
214 3B3M Ki = 47.94 uM JI1 C13 H22 N4 O c1cc(nc(c1....
215 5G0O Ki = 748 nM W64 C18 H25 N5 Cc1cc(nc(c....
216 6AUR Ki = 41 nM W68 C18 H24 F N3 Cc1cc(nc(c....
217 4K5F Ki = 232 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
218 5FVO - D8H C17 H24 N4 O Cc1cc(nc(c....
219 3JT7 Ki = 59 uM JM5 C10 H21 N3 O2 S [H]/N=C(/C....
220 5AD5 Ki = 0.332 uM M94 C19 H21 N3 O CNCCc1cccc....
221 6AUW Ki = 57 nM W80 C21 H24 N4 Cc1cc(nc(c....
222 4K5E Ki = 32 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
223 6AV2 - BY7 C20 H26 F3 N3 Cc1cc(nc(c....
224 4JSF Ki = 86 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
225 1M00 - BHH C5 H13 N3 O CCCCNC(=N)....
226 3JWU Ki = 171 nM J11 C21 H30 F N5 Cc1cc(nc(c....
227 5FVQ Ki = 43 nM W64 C18 H25 N5 Cc1cc(nc(c....
228 3UFU Ki = 0.074 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
229 5VV1 Ki = 0.073 uM 9OS C19 H22 N4 O COc1ccncc1....
230 1ZVI - H4B C9 H15 N5 O3 C[C@@H]([C....
231 5VUV Ki = 0.768 uM M62 C16 H14 F N3 c1cc(cc(c1....
232 3NLN - H4B C9 H15 N5 O3 C[C@@H]([C....
233 1OM4 - H4B C9 H15 N5 O3 C[C@@H]([C....
234 3B3P Ki = 0.25 uM JI7 C20 H28 Cl N5 Cc1cc(nc(c....
235 3N5V - H4B C9 H15 N5 O3 C[C@@H]([C....
236 4CTW Ki = 24 nM S71 C22 H28 N6 Cc1cc(nc(c....
237 4CTP Ki = 144 nM 2IK C22 H27 N5 Cc1cc(nc(c....
238 4CTT Ki = 903 nM S7K C22 H26 N4 Cc1ccnc(c1....
239 4FVW - H4B C9 H15 N5 O3 C[C@@H]([C....
240 6AV5 Ki = 83 nM W82 C22 H24 F N3 Cc1cc(nc(c....
241 3HSO - H4B C9 H15 N5 O3 C[C@@H]([C....
242 6CIC - H4B C9 H15 N5 O3 C[C@@H]([C....
243 5ADB Kd = 0.058 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
244 4CTR Ki = 70 nM S20 C22 H26 N4 O Cc1cc(nc(c....
245 1LZZ - H4B C9 H15 N5 O3 C[C@@H]([C....
246 3TYN Ki = 0.39 uM CXW C20 H28 N4 O2 Cc1cc(nc(c....
247 4KCM Ki = 0.049 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
248 3UFR Ki = 0.637 uM H5W C21 H26 F N3 O Cc1cc(nc(c....
249 4K5D Ki = 382 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
250 3B3N Ki = 388 nM JI2 C12 H21 N5 c1cc(nc(c1....
251 5AGN Ki = 1.5 uM 4JK C7 H15 N3 O3 [H]/N=C(CO....
252 4UH6 Ki = 55 nM Q1T C19 H25 N5 Cc1cc(nc(c....
253 5UNX Ki = 0.042 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
254 3JWT Ki = 5.3 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
255 3JX5 - H4B C9 H15 N5 O3 C[C@@H]([C....
256 3NNY Ki = 50 nM 59R C20 H27 F N4 O c1cc(cc(c1....
257 4CTV Ki = 123 nM 7S7 C22 H28 N6 Cc1cc(nc(c....
258 2G6K - H4B C9 H15 N5 O3 C[C@@H]([C....
259 1VAG - H4B C9 H15 N5 O3 C[C@@H]([C....
260 4UCH Ki = 0.138 uM OLW C17 H16 N6 c1cc(cc(c1....
261 3N5X Ki = 103 nM XFK C21 H25 N5 Cc1cc(nc(c....
262 5VV3 Ki = 0.032 uM P94 C19 H18 N4 c1cc(ccc1C....
263 5VUM Ki = 0.038 uM XH8 C18 H20 N4 c1cc(cnc1)....
264 6CID - F2J C18 H20 N4 S [H]/N=C(c1....
265 6AUS Ki = 252 nM BYV C19 H24 N4 Cc1cc(nc(c....
266 3NLK Ki = 116 nM JSS C21 H29 F N4 O Cc1cc(nc(c....
267 3N61 - H4B C9 H15 N5 O3 C[C@@H]([C....
268 5UO6 Ki = 0.065 uM M4R C22 H24 N4 O Cc1cc(nc2c....
269 4FVX Ki = 26 uM 2KJ C8 H18 N4 O3 [H]/N=C(NC....
270 1P6J Ki = 0.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
271 4JSG Ki = 60 nM Q10 C16 H21 N3 O2 Cc1cc(nc(c....
272 4GQE Ki = 7.4 mM 6KJ C10 H20 N4 O3 [H]/N=C(NO....
273 4IMU Ki = 0.053 uM 1ET C23 H29 N5 Cc1cc(nc(c....
274 5VUI Ki = 0.575 uM M62 C16 H14 F N3 c1cc(cc(c1....
275 3N65 - H4B C9 H15 N5 O3 C[C@@H]([C....
276 2G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
277 4D1N - H4B C9 H15 N5 O3 C[C@@H]([C....
278 2G6L - HBI C9 H13 N5 O3 C[C@@H]([C....
279 6AUU Ki = 541 nM BY7 C20 H26 F3 N3 Cc1cc(nc(c....
280 3HSN - H4B C9 H15 N5 O3 C[C@@H]([C....
281 3NLR - H4B C9 H15 N5 O3 C[C@@H]([C....
282 3NLZ Ki = 0.085 uM 3XD C21 H28 F2 N4 O Cc1cc(nc(c....
283 5UO4 Ki = 0.061 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
284 5VUU Ki = 0.025 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
285 3N62 - H4B C9 H15 N5 O3 C[C@@H]([C....
286 5ADC Ki = 0.043 uM TUE C17 H16 N4 O C=NCc1cc(c....
287 5VUZ Ki = 0.108 uM XH8 C18 H20 N4 c1cc(cnc1)....
288 4V3U Ki = 0.125 uM EG8 C17 H20 N6 c1cc(cnc1)....
289 4D32 Ki = 0.06 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
290 5VUO Ki = 0.05 uM 9OS C19 H22 N4 O COc1ccncc1....
291 4KCO Ki = 0.073 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
292 4FVY - 3KJ C7 H16 N4 O3 [H]/N=C(/N....
293 5AD7 Ki = 0.569 uM M85 C18 H19 N3 O CNCc1cccc(....
294 5AGK Ki = 53 uM RGE C8 H17 N3 O3 S [H]/N=C(CS....
295 4KCK Ki = 0.005 uM H45 C25 H25 N5 S2 [H]/N=C(c1....
296 5UO5 Ki = 0.074 uM M4R C22 H24 N4 O Cc1cc(nc2c....
297 3UFS Ki = 0.23 uM HW6 C22 H29 Cl F N3 O Cc1cc(nc(c....
298 5VUX Ki = 0.764 uM 9P1 C19 H22 N4 CN(C)c1ccc....
299 6AUT Ki = 26 nM W69 C19 H26 F N3 Cc1cc(nc(c....
300 3JX6 Ki = 2180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
301 4D2Y Ki = 0.018 uM L5Z C19 H20 F N5 c1cc(cc(c1....
302 1K2U - H4B C9 H15 N5 O3 C[C@@H]([C....
303 1ZZU Ki = 63.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
304 4JSH Ki = 117 nM Q15 C19 H25 N3 O2 Cc1cc(nc(c....
305 4IMW Ki = 0.056 uM 1EV C23 H25 N5 Cc1cc(nc(c....
306 3UFP Ki = 0.922 uM H4W C22 H30 F N3 O Cc1cc(nc(c....
307 5G0N Ki = 139.4 nM EXI C17 H25 N5 Cc1cc(nc(c....
308 2G6I - HBI C9 H13 N5 O3 C[C@@H]([C....
309 3N60 Ki = 85 nM XFN C22 H27 N5 Cc1cc(nc(c....
310 5VV5 Ki = 0.03 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
311 5VUK Ki = 0.522 uM 9P1 C19 H22 N4 CN(C)c1ccc....
312 5AD4 Ki = 0.468 uM 6M8 C20 H23 N3 O CN(C)CCc1c....
313 3PNF Ki = 0.17 uM 8BX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
314 3SVP Ki = 0.077 uM JK5 C21 H26 Cl F3 N4 O Cc1cc(nc(c....
315 6AUQ Ki = 48 nM BYJ C18 H25 N3 Cc1cc(nc(c....
316 5UO3 - 8EY C20 H20 N4 O Cc1cc(nc2c....
317 4CX3 - HW8 C21 H30 N4 O Cc1cc(nc(c....
318 5AGP Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
319 4JSI Ki = 40 nM Q05 C22 H24 F N3 O Cc1cc(nc(c....
320 5VUW Ki = 1.02 uM JHT C19 H22 N4 CN(C)c1ccc....
321 4FVZ Ki = 28 uM 4KJ C8 H16 N4 O3 [H]/N=C(/N....
322 3JWV Ki = 18.9 nM J14 C21 H30 F N5 Cc1cc(nc(c....
323 6AUZ Ki = 65 nM W68 C18 H24 F N3 Cc1cc(nc(c....
324 2HX4 Ki = 0.31 uM 4HX C11 H22 N8 O5 [H]/N=C(/N....
325 5ADF Ki = 0.657 uM 2SN C19 H22 N4 CN(C)Cc1cc....
326 5VV0 Ki = 0.13 uM 9OM C19 H22 N4 Cc1ccncc1C....
327 4D3B Ki = 0.368 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
328 3HSP - H4B C9 H15 N5 O3 C[C@@H]([C....
329 5FVT Ki = 25 nM W67 C18 H26 N4 Cc1cc(nc(c....
330 4V3X Ki = 0.138 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
331 5AGL Ki = 58.3 uM CCW C8 H17 N3 O4 S CS(=O)(=O)....
332 4D30 Ki = 0.054 uM EG8 C17 H20 N6 c1cc(cnc1)....
333 4CTU Ki = 53 nM S42 C23 H29 N5 Cc1cc(nc(c....
334 5UO0 Ki = 0.05 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
335 3N2R Ki = 3 uM XJH C22 H23 N3 O2 c1ccc(cc1)....
336 3NLX Ki = 0.036 uM 3XB C21 H27 F3 N4 O Cc1cc(nc(c....
337 4CAP Ki = 0.06 uM ML6 C19 H20 F N3 c1cc(cc(c1....
338 5FVU Ki = 84 nM W64 C18 H25 N5 Cc1cc(nc(c....
339 3NLJ - H4B C9 H15 N5 O3 C[C@@H]([C....
340 5AGM Ki = 22.9 uM WT2 C7 H13 N3 O3 C(C[C@@H](....
341 4KCJ Ki = 0.13 uM H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
342 5FVX Ki = 37 nM W67 C18 H26 N4 Cc1cc(nc(c....
343 4UPO Ki = 0.0281 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
344 1K2T - H4B C9 H15 N5 O3 C[C@@H]([C....
345 5VUN Ki = 0.09 uM 9OM C19 H22 N4 Cc1ccncc1C....
346 3JT4 Ki = 33 uM JM8 C10 H21 N3 O2 S [H]/N=C(CC....
347 5ADD - M85 C18 H19 N3 O CNCc1cccc(....
348 4V3W Ki = 0.183 uM E2Z C17 H18 F N5 c1cc(cc(c1....
349 3NLQ - H4B C9 H15 N5 O3 C[C@@H]([C....
350 5VUS Ki = 0.031 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
351 4UH5 Ki = 59 nM EXI C17 H25 N5 Cc1cc(nc(c....
352 3JWS Ki = 52.2 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
353 3UFV Ki = 0.031 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
354 5UNV Ki = 0.033 uM 8J7 C20 H23 N3 Cc1cc(nc2c....
355 3NNZ Ki = 220 nM 59W C20 H27 F N4 O c1cc(cc(c1....
356 3JX4 - H4B C9 H15 N5 O3 C[C@@H]([C....
357 3N64 - XFN C22 H27 N5 Cc1cc(nc(c....
358 5VUJ Ki = 0.421 uM JHT C19 H22 N4 CN(C)c1ccc....
359 3JT3 Ki = 0.9 uM JM2 C8 H17 N3 O2 S [H]/N=C(CS....
360 5ADE - XEB C18 H18 Cl N3 O CNCc1cc(cc....
361 2G6J - 7AP C9 H12 N6 O2 C[C@@H]([C....
362 3UFQ Ki = 15.402 uM HW5 C22 H28 F N3 O Cc1cc(nc(c....
363 3TYM Ki = 0.82 uM 08R C21 H30 N4 O2 Cc1cc(nc(c....
364 4JSJ Ki = 140 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
365 4UH1 Ki = 17 nM EXI C17 H25 N5 Cc1cc(nc(c....
366 5AD9 Ki = 0.283 uM 8VJ C19 H21 N3 O CN(C)Cc1cc....
367 3SVQ Ki = 0.18 uM JK4 C21 H26 F4 N4 O Cc1cc(nc(c....
368 1P6I Ki = 0.15 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
369 3Q9A - H4B C9 H15 N5 O3 C[C@@H]([C....
370 4CAO Ki = 0.164 uM M46 C20 H22 F N3 c1cc(cc(c1....
371 4V3Y Ki = 0.032 uM HLW C18 H20 Cl N5 c1cc(cc(c1....
372 5VUR Ki = 0.021 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
373 5G0P Ki = 108 nM W67 C18 H26 N4 Cc1cc(nc(c....
374 5UO2 Ki = 0.125 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
375 2G6N - HBI C9 H13 N5 O3 C[C@@H]([C....
376 5ADG Ki = 0.295 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
377 4UPP Ki = 0.0282 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
378 4LUX Kd = 0.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
379 4CX5 - HW8 C21 H30 N4 O Cc1cc(nc(c....
380 4V3V Ki = 0.138 uM S8F C17 H18 F N5 c1cc(cc(c1....
381 6AUX Ki = 44 nM W82 C22 H24 F N3 Cc1cc(nc(c....
382 4K5G Ki = 37 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
383 3NLY Ki = 0.16 uM 3XC C21 H27 F3 N4 O Cc1cc(nc(c....
384 5FVP Ki = 547 nM WOS C17 H22 N4 O Cc1cc(nc(c....
385 3JT5 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
386 5AGO Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
387 5VUP Ki = 0.216 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
388 5FW0 Ki = 1768 nM W30 C17 H24 N4 O Cc1cc(nc(c....
389 4KCI Ki = 0.739 uM 1QE C24 H22 N4 S2 [H]/N=C(Nc....
390 4UPM Ki = 0.059 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
391 3PNE Ki = 0.086 uM 8AX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
392 5UNW Ki = 0.036 uM 8F7 C21 H22 N4 Cc1cc(nc2c....
393 4V3Z Ki = 0.056 uM 9HL C19 H20 F N5 c1cc(cc(c1....
394 5FVR Ki = 72 nM H65 C19 H26 N4 Cc1cc(nc(c....
395 4CDT Ki = 0.049 uM M48 C19 H20 F N3 c1cc(cc(c1....
396 4FW0 Ki > 10 mM 5KJ C7 H16 N4 O3 [H]/N=C(NO....
397 4UH2 Ki = 67 nM S84 C19 H25 F3 N4 Cc1cc(nc(c....
398 5UO7 Ki = 0.046 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
399 3JT8 - H4B C9 H15 N5 O3 C[C@@H]([C....
400 1ZVL - H4B C9 H15 N5 O3 C[C@@H]([C....
401 4CTQ Ki = 122 nM S5D C22 H27 N5 Cc1cc(nc(c....
402 4IMS Ki = 0.54 uM 12S C25 H33 N5 Cc1cc(nc(c....
403 3TYO Ki = 0.4 uM DXW C18 H26 N4 O2 Cc1cc(nc(c....
404 1RS7 - D7P C15 H25 N7 O4 c1ccc(cc1)....
405 4KCL Ki = 0.005 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
406 3NLO - H4B C9 H15 N5 O3 C[C@@H]([C....
407 4UH0 Ki = 35 nM SKO C17 H25 N5 Cc1cc(nc(c....
408 3UFO Ki = 9.057 uM HW4 C22 H30 F N3 O Cc1cc(nc(c....
409 4D2Z Ki = 0.15 uM K9L C19 H20 F N5 c1cc(cc(c1....
410 5UNR Ki = 0.035 uM 8EV C19 H18 N4 O CNCc1cc(cc....
411 5ADA Ki = 0.375 uM 2SN C19 H22 N4 CN(C)Cc1cc....
412 1P6K Ki = 67 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
413 5FVV Ki = 89 nM H65 C19 H26 N4 Cc1cc(nc(c....
414 6AV0 Ki = 516 nM BYV C19 H24 N4 Cc1cc(nc(c....
415 3JX2 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
416 3UFW Ki = 0.03 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
417 5VV2 Ki = 0.164 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
418 5UO1 Ki = 0.036 uM 8EV C19 H18 N4 O CNCc1cc(cc....
419 3N5W Ki = 25 nM XFJ C21 H25 N5 Cc1cc(nc(c....
420 3PNG Ki = 0.026 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
421 3B3O Ki = 0.085 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
422 4C39 Ki = 9.7 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
423 5VUL Ki = 0.036 uM P64 C20 H24 N4 CN(C)c1ccc....
424 1K2R - H4B C9 H15 N5 O3 C[C@@H]([C....
425 1QW6 - H4B C9 H15 N5 O3 C[C@@H]([C....
426 3JT9 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
427 3JX0 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
428 5AD6 Ki = 0.179 uM 7M3 C19 H21 N3 O CN(C)Cc1cc....
429 1MMV - H4B C9 H15 N5 O3 C[C@@H]([C....
430 4UH3 Ki = 34 nM S85 C18 H25 F N4 Cc1cc(nc(c....
431 1ZZQ Ki = 20 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
432 6AV3 Ki = 82 nM W79 C21 H24 N4 Cc1cc(nc(c....
433 1P6H Ki = 0.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
434 6AUY Ki = 55 nM BYJ C18 H25 N3 Cc1cc(nc(c....
435 5FVS Ki = 16 nM W66 C17 H24 N4 Cc1cc(nc(c....
436 3NM0 Ki = 0.17 uM 3XE C21 H32 F2 N4 O C[C@H]1C[C....
437 3N66 - XFN C22 H27 N5 Cc1cc(nc(c....
438 5VUQ Ki = 0.037 uM P94 C19 H18 N4 c1cc(ccc1C....
439 2G6M - H4B C9 H15 N5 O3 C[C@@H]([C....
440 3NLV Ki = 0.39 uM 3XA C21 H27 F3 N4 O Cc1cc(nc(c....
441 3N5Z Ki = 195 nM XFM C21 H25 N5 Cc1cc(nc(c....
442 1RS6 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
443 4CAN Ki = 0.254 uM M7K C18 H18 F N3 c1cc(cc(c1....
444 4CX6 - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
445 4KCH Ki = 0.787 uM H38 C22 H18 N4 S2 [H]/N=C(Nc....
446 5UNT Ki = 0.039 uM 8J1 C19 H21 N3 O Cc1cc(nc2c....
447 4NOS Ki = 19 nM ITU C3 H8 N2 S CCSC(=N)N
448 3E7G ic50 = 0.35 uM AT2 C14 H21 N3 O2 CCOC(=O)N1....
50% Homology Family (522)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4UPR Ki = 16.68 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
2 1FOJ - 7NI C7 H5 N3 O2 c1cc2cn[nH....
3 3N6A - H4B C9 H15 N5 O3 C[C@@H]([C....
4 1ED5 - NRG C6 H13 N5 O4 [H]/N=C(NC....
5 5UO9 Ki = 43 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
6 6CIF - F2J C18 H20 N4 S [H]/N=C(c1....
7 1Q2O Ki = 9.5 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
8 4D36 Ki = 8.1 uM HLW C18 H20 Cl N5 c1cc(cc(c1....
9 1DM7 - HRG C7 H16 N4 O2 C(CCNC(=N)....
10 5NSE - HAR C6 H14 N4 O3 C(C[C@@H](....
11 3NLF Ki = 18.78 uM JRS C21 H29 F N4 O Cc1cc(nc(c....
12 4CWW Ki = 45.2 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
13 1M9K Kd ~ 250 uM 7NI C7 H5 N3 O2 c1cc2cn[nH....
14 3N67 - H4B C9 H15 N5 O3 C[C@@H]([C....
15 4UHA Ki = 24950 nM S49 C29 H33 N5 O4 S [H]/N=C(/c....
16 1FOP - ARG C6 H15 N4 O2 C(C[C@@H](....
17 4D1P - H4B C9 H15 N5 O3 C[C@@H]([C....
18 5VVD - H4B C9 H15 N5 O3 C[C@@H]([C....
19 3JWZ Ki = 57100 nM J14 C21 H30 F N5 Cc1cc(nc(c....
20 4CU0 Ki = 68520 nM S71 C22 H28 N6 Cc1cc(nc(c....
21 3N6E - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
23 4D34 Ki = 10.5 uM E2Z C17 H18 F N5 c1cc(cc(c1....
24 1FOI - 14W C10 H15 N3 [H]/N=C(/C....
25 5FVY - H4B C9 H15 N5 O3 C[C@@H]([C....
26 4IMX Ki = 26.4 uM 1EV C23 H25 N5 Cc1cc(nc(c....
27 5ADM - 9M9 C17 H17 N3 O c1cc(cc(c1....
28 2G6O - ARG C6 H15 N4 O2 C(C[C@@H](....
29 3JWY Ki = 34500 nM J11 C21 H30 F N5 Cc1cc(nc(c....
30 4K5I Ki = 15213 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
31 5FJ2 - XEB C18 H18 Cl N3 O CNCc1cc(cc....
32 4CWZ - H4B C9 H15 N5 O3 C[C@@H]([C....
33 4CVG - ARG C6 H15 N4 O2 C(C[C@@H](....
34 1D1W Ki = 0.35 uM ATQ C3 H6 N2 S C1CSC(=N1)....
35 4D39 Ki = 10.5 uM OLW C17 H16 N6 c1cc(cc(c1....
36 1ZZS Ki = 5.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
37 4UPS Ki = 3.63 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
38 5VV8 Ki = 0.092 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
39 4KCQ Ki = 41.4 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
40 4JSK Ki = 979 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
41 5ADL - H4B C9 H15 N5 O3 C[C@@H]([C....
42 9NSE Ki = 0.039 uM ISU C3 H8 N2 Se [H]/N=C(/N....
43 3DQS Ki = 85.2 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
44 5VV9 Ki = 1.22 uM 9OG C20 H20 N4 Cc1cc(nc2c....
45 4CUN - ARG C6 H15 N4 O2 C(C[C@@H](....
46 1P6N Ki = 110 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
47 5FVZ Ki = 16637 nM W67 C18 H26 N4 Cc1cc(nc(c....
48 4CUM - WS7 C11 H15 N5 O CC12CCCCC1....
49 1D1V - H4B C9 H15 N5 O3 C[C@@H]([C....
50 6AV6 Ki = 39505 nM W68 C18 H24 F N3 Cc1cc(nc(c....
51 4KCS Ki = 21.7 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
52 4K5K Ki = 2542 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
53 4CWY Ki = 26.1 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
54 3NLG Ki = 36.19 uM JSR C21 H29 F N4 O Cc1cc(nc(c....
55 3NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
56 4UPQ Ki = 12.44 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
57 1D1Y - 3BT C12 H18 N4 S2 [H]/N=C(N)....
58 1DMK - AP6 C12 H14 N6 c1ccc(cc1)....
59 4D37 Ki = 4 uM 9HL C19 H20 F N5 c1cc(cc(c1....
60 6AV7 Ki = 83976 nM W69 C19 H26 F N3 Cc1cc(nc(c....
61 4UH7 Ki = 20240 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
62 3N5P Ki = 20000 nM XFM C21 H25 N5 Cc1cc(nc(c....
63 3NLD Ki = 26.2 uM JSS C21 H29 F N4 O Cc1cc(nc(c....
64 4CX2 - H2B C9 H13 N5 O3 C[C@@H]([C....
65 4CAR Ki = 0.485 uM M87 C18 H18 F N3 c1cc(cc(c1....
66 4JSL Ki = 2154 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
67 6NSE - GGB C5 H12 N4 O3 [H]/N=C(N)....
68 5VVB - 9P7 C20 H20 N4 Cc1cc(ccc1....
69 4K5H Ki = 26446 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
70 4C3A Ki = 6727 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
71 5UOB Ki = 16.1 uM M4R C22 H24 N4 O Cc1cc(nc2c....
72 1M9J Kd ~ 0.6 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
73 1FOL - ARG C6 H15 N4 O2 C(C[C@@H](....
74 1D0O - INE C7 H4 Br N3 O2 c1cc2c(c(c....
75 5VV6 Ki = 1.57 uM P64 C20 H24 N4 CN(C)c1ccc....
76 4JSM Ki = 10366 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
77 4UH8 Ki = 12910 nM EXI C17 H25 N5 Cc1cc(nc(c....
78 4CX1 - H2B C9 H13 N5 O3 C[C@@H]([C....
79 1P6L Ki = 107 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
80 1NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
81 4KCR Ki = 0.9 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
82 5VVC - 9OJ C21 H22 N4 Cc1cc(ccc1....
83 1ED6 - ILO C7 H15 N3 O2 CC(=N)NCCC....
84 1RS8 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
85 3NLI - H4B C9 H15 N5 O3 C[C@@H]([C....
86 7NSE - DA2 C8 H18 N4 O2 [H]/N=C(/N....
87 1DM6 - PH3 C7 H8 Cl N3 O c1cc(ccc1N....
88 5UOA Ki = 5.63 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
89 5ADN - H4B C9 H15 N5 O3 C[C@@H]([C....
90 3N6F - H4B C9 H15 N5 O3 C[C@@H]([C....
91 4UH9 Ki = 30238 nM S85 C18 H25 F N4 Cc1cc(nc(c....
92 1DMJ - AP4 C8 H9 N5 O3 C1[C@@H]2C....
93 2NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
94 1D1X - H4B C9 H15 N5 O3 C[C@@H]([C....
95 4LUW Kd = 2.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
96 3NOS - HAR C6 H14 N4 O3 C(C[C@@H](....
97 3EAH ic50 = 0.04 uM 327 C10 H14 N2 O S [H]/N=C/1c....
98 4D35 Ki = 4 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
99 1D0C - INE C7 H4 Br N3 O2 c1cc2c(c(c....
100 4CWV Ki = 148.9 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
101 4K5J Ki = 20196 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
102 1P6M Ki = 80 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
103 5UO8 Ki = 12.3 uM 8EV C19 H18 N4 O CNCc1cc(cc....
104 4CUL - ARG C6 H15 N4 O2 C(C[C@@H](....
105 4D3A Ki = 15.4 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
106 5UOD - 8EY C20 H20 N4 O Cc1cc(nc2c....
107 5VVG Ki = 0.115 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
108 1FOO - ARG C6 H15 N4 O2 C(C[C@@H](....
109 1M9Q - 5NI C7 H5 N3 O2 c1cc2c(cc1....
110 3PNH Ki = 19 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
111 4D1O - ARG C6 H15 N4 O2 C(C[C@@H](....
112 4D38 Ki = 10.32 uM L5Z C19 H20 F N5 c1cc(cc(c1....
113 5FJ3 Ki = 12.5 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
114 5VVN Ki = 0.581 uM P94 C19 H18 N4 c1cc(ccc1C....
115 1DM8 - H4B C9 H15 N5 O3 C[C@@H]([C....
116 5UOC Ki = 22.2 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
117 4D33 Ki = 40 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
118 2HX2 Ki = 73 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
119 1I83 - NTU C18 H38 N4 S2 CS/C(=NCCC....
120 1ED4 Ki = 0.022 uM IPU C4 H10 N2 S CC(C)SC(=N....
121 5VV7 Ki = 1.04 uM XH8 C18 H20 N4 c1cc(cnc1)....
122 4KCP Ki = 2.7 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
123 1RS9 - D7P C15 H25 N7 O4 c1ccc(cc1)....
124 4UPT Ki = 3.34 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
125 4CX0 - H4B C9 H15 N5 O3 C[C@@H]([C....
126 1M9M - 6NI C7 H5 N3 O2 c1cc2cn[nH....
127 3JWX Ki = 20300 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
128 4CTZ Ki = 328000 nM S7K C22 H26 N4 Cc1ccnc(c1....
129 5ADK - H4B C9 H15 N5 O3 C[C@@H]([C....
130 3N5S Ki = 16100 nM XFK C21 H25 N5 Cc1cc(nc(c....
131 1ZZT Ki = 1.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
132 3JWW Ki = 26400 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
133 4CTY Ki = 14390 nM S5D C22 H27 N5 Cc1cc(nc(c....
134 5ADJ - M94 C19 H21 N3 O CNCCc1cccc....
135 3N6G - H4B C9 H15 N5 O3 C[C@@H]([C....
136 3NLE Ki = 19.2 uM JRR C21 H29 F N4 O Cc1cc(nc(c....
137 8NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
138 6CIE - 7R2 C19 H26 N4 S [H]/N=C(c1....
139 1DMI - BHS C9 H15 N5 O3