Receptor
PDB id Resolution Class Description Source Keywords
2ORQ 2.1 Å EC: 1.14.13.39 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) 4-(IMIDAZOL-1-YL)PHENOL AND PIPERONYLAMINE C OMPLEX MUS MUSCULUS NITRIC OXIDE L-ARGININE MONOOXYGENASE HEME DIMERIZATION INHIBITOR NOS OXIDOREDUCTASE
Ref.: DESIGN, SYNTHESIS, AND ACTIVITY OF 2-IMIDAZOL-1-YLPYRIMIDINE DERIVED INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS J.MED.CHEM. V. 50 1146 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:600;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
MR1 A:602;
Valid;
none;
submit data
151.163 C8 H9 N O2 c1cc2...
MSR A:601;
Valid;
none;
submit data
160.173 C9 H8 N2 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ORO 2 Å EC: 1.14.13.39 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (R)-1-(2-IMIDAZOL-1-YL-6-METHYL-PYRIMIDIN-4- Y L)-PYRROLIDINE-2-CARBOXYLIC ACID (2-BENZO[1,3]DIOXOL-5-YL-ET HYL)-AMIDE COMPLEX MUS MUSCULUS NITRIC OXIDE; L-ARGININE MONOOXYGENASE; HEME; DIMERIZATION; INHIBITOR; NOS OXIDOREDUCTASE
Ref.: DESIGN, SYNTHESIS, AND ACTIVITY OF 2-IMIDAZOL-1-YLPYRIMIDINE DERIVED INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS J.MED.CHEM. V. 50 1146 2007
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1DWV - HAR C6 H14 N4 O3 C(C[C@@H](....
2 2ORS - 391 C21 H16 N4 O4 Cc1cc(nc(n....
3 1M8D Kd ~ 4.3 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
4 1DF1 - ITU C3 H8 N2 S CCSC(=N)N
5 2NOS - AGU C H6 N4 C(=N)(N)NN
6 1R35 ic50 = 6.09 uM I58 C8 H16 F N3 O2 [H]/N=C(/C....
7 2ORR - 333 C20 H14 N4 O4 c1cc(ccc1n....
8 1DD7 ic50 = 28 nM 1PM C23 H25 N7 O5 COC(=O)N1C....
9 3NQS - H4B NO n/a n/a
10 2ORO ic50 = 0.29 nM 228 C22 H24 N6 O3 Cc1cc(nc(n....
11 3EAI ic50 = 0.074 uM 328 C19 H20 N4 O2 COc1ccnc(c....
12 1N2N - H4B C9 H15 N5 O3 C[C@@H]([C....
13 1M9T - H4B C9 H15 N5 O3 C[C@@H]([C....
14 2ORP ic50 = 1.9 nM R86 C27 H35 N7 O3 Cc1cc(nc(n....
15 3EBF ic50 = 0.4 uM 332 C17 H19 N3 O2 S c1cc2c(cc1....
16 1QW4 - H4B C9 H15 N5 O3 C[C@@H]([C....
17 1JWK - HBI C9 H13 N5 O3 C[C@@H]([C....
18 2ORQ - MR1 C8 H9 N O2 c1cc2c(cc1....
19 3E6N ic50 = 0.015 uM AS3 C9 H14 N2 CCCc1cc(cc....
20 3E65 ic50 = 0.13 uM XXZ C20 H22 F N5 O c1cc2c(c(c....
21 3E6T ic50 = 1.2 uM 1A2 C21 H22 F2 N6 O CCN1c2c(cc....
22 3E7M - H4B C9 H15 N5 O3 C[C@@H]([C....
23 1DWW - HAR C6 H14 N4 O3 C(C[C@@H](....
24 3E68 ic50 = 0.12 uM AT6 C16 H16 N4 O Cc1cc(nc(c....
25 3E6L ic50 = 0.72 uM A11 C13 H18 Cl N3 O2 CCOC(=O)N1....
26 3EBD ic50 = 0.04 uM 329 C8 H10 N2 O S C[C@H]1CN=....
27 2ORT - 342 C22 H23 N3 O3 c1cc(ccc1n....
70% Homology Family (533)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 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 6NH7 - KMM C19 H24 F3 N3 Cc1cc(nc(c....
13 4CWW Ki = 45.2 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
14 1M9K Kd ~ 250 uM 7NI C7 H5 N3 O2 c1cc2cn[nH....
15 3N67 - H4B C9 H15 N5 O3 C[C@@H]([C....
16 4UHA Ki = 24950 nM Q1T C19 H25 N5 Cc1cc(nc(c....
17 1FOP - ARG C6 H15 N4 O2 C(C[C@@H](....
18 4D1P - H4B C9 H15 N5 O3 C[C@@H]([C....
19 5VVD - H4B C9 H15 N5 O3 C[C@@H]([C....
20 3JWZ Ki = 57100 nM J14 C21 H30 F N5 Cc1cc(nc(c....
21 4CU0 Ki = 68520 nM S71 C22 H28 N6 Cc1cc(nc(c....
22 3N6E - H4B C9 H15 N5 O3 C[C@@H]([C....
23 4NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
24 4D34 Ki = 10.5 uM E2Z C17 H18 F N5 c1cc(cc(c1....
25 1FOI - 14W C10 H15 N3 [H]/N=C(/C....
26 5FVY - H4B C9 H15 N5 O3 C[C@@H]([C....
27 4IMX Ki = 26.4 uM 1EV C23 H25 N5 Cc1cc(nc(c....
28 5ADM - 9M9 C17 H17 N3 O c1cc(cc(c1....
29 2G6O - ARG C6 H15 N4 O2 C(C[C@@H](....
30 3JWY Ki = 34500 nM J11 C21 H30 F N5 Cc1cc(nc(c....
31 4K5I Ki = 15213 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
32 5FJ2 - XEB C18 H18 Cl N3 O CNCc1cc(cc....
33 4CWZ - H4B C9 H15 N5 O3 C[C@@H]([C....
34 4CVG - ARG C6 H15 N4 O2 C(C[C@@H](....
35 1D1W Ki = 0.35 uM ATQ C3 H6 N2 S C1CSC(=N1)....
36 4D39 Ki = 10.5 uM OLW C17 H16 N6 c1cc(cc(c1....
37 1ZZS Ki = 5.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
38 4UPS Ki = 3.63 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
39 6NH8 - KMS C19 H24 F3 N3 Cc1cc(nc(c....
40 5VV8 Ki = 0.092 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
41 4KCQ Ki = 41.4 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
42 4JSK Ki = 979 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
43 5ADL - H4B C9 H15 N5 O3 C[C@@H]([C....
44 9NSE Ki = 0.039 uM ISU C3 H8 N2 Se [H]/N=C(/N....
45 3DQS Ki = 85.2 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
46 5VV9 Ki = 1.22 uM 9OG C20 H20 N4 Cc1cc(nc2c....
47 4CUN - ARG C6 H15 N4 O2 C(C[C@@H](....
48 6NH1 - KLY C18 H20 F N3 Cc1cc(nc(c....
49 1P6N Ki = 110 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
50 5FVZ Ki = 16637 nM W67 C18 H26 N4 Cc1cc(nc(c....
51 4CUM - WS7 C11 H15 N5 O CC12CCCCC1....
52 1D1V - H4B C9 H15 N5 O3 C[C@@H]([C....
53 6POW - OUA C16 H16 N4 Cc1cc(nc2c....
54 6NH5 - KLD C21 H27 F2 N3 Cc1cc(nc(c....
55 6AV6 Ki = 39505 nM W68 C18 H24 F N3 Cc1cc(nc(c....
56 4KCS Ki = 21.7 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
57 4K5K Ki = 2542 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
58 4CWY Ki = 26.1 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
59 3NLG Ki = 36.19 uM JSR C21 H29 F N4 O Cc1cc(nc(c....
60 3NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
61 4UPQ Ki = 12.44 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
62 6POZ Ki = 20.2 uM OSD C20 H23 N3 O Cc1cc(nc2c....
63 1D1Y - 3BT C12 H18 N4 S2 [H]/N=C(N)....
64 6NH6 - H4B C9 H15 N5 O3 C[C@@H]([C....
65 1DMK - AP6 C12 H14 N6 c1ccc(cc1)....
66 4D37 Ki = 4 uM 9HL C19 H20 F N5 c1cc(cc(c1....
67 6AV7 Ki = 83976 nM W69 C19 H26 F N3 Cc1cc(nc(c....
68 4UH7 Ki = 20240 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
69 3N5P Ki = 20000 nM XFM C21 H25 N5 Cc1cc(nc(c....
70 3NLD Ki = 26.2 uM JSS C21 H29 F N4 O Cc1cc(nc(c....
71 4CX2 - H2B C9 H13 N5 O3 C[C@@H]([C....
72 4CAR Ki = 0.485 uM M87 C18 H18 F N3 c1cc(cc(c1....
73 4JSL Ki = 2154 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
74 6NSE - GGB C5 H12 N4 O3 [H]/N=C(N)....
75 5VVB - 9P7 C20 H20 N4 Cc1cc(ccc1....
76 4K5H Ki = 26446 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
77 4C3A Ki = 6727 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
78 5UOB Ki = 16.1 uM M4R C22 H24 N4 O Cc1cc(nc2c....
79 1M9J Kd ~ 0.6 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
80 1FOL - ARG C6 H15 N4 O2 C(C[C@@H](....
81 1D0O - INE C7 H4 Br N3 O2 c1cc2c(c(c....
82 5VV6 Ki = 1.57 uM P64 C20 H24 N4 CN(C)c1ccc....
83 4JSM Ki = 10366 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
84 6NH2 - KMA C20 H26 F N3 Cc1cc(nc(c....
85 4UH8 Ki = 12910 nM EXI C17 H25 N5 Cc1cc(nc(c....
86 4CX1 - H2B C9 H13 N5 O3 C[C@@H]([C....
87 1P6L Ki = 107 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
88 1NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
89 4KCR Ki = 0.9 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
90 6NH3 - KL4 C20 H26 F N3 Cc1cc(nc(c....
91 5VVC - 9OJ C21 H22 N4 Cc1cc(ccc1....
92 1ED6 - ILO C7 H15 N3 O2 CC(=N)NCCC....
93 1RS8 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
94 6POY Ki = 12.9 uM OSG C20 H23 N3 O CCCOc1ccc(....
95 6PP1 Ki = 21 uM OU1 C21 H23 N3 O Cc1cc(nc2c....
96 3NLI - H4B C9 H15 N5 O3 C[C@@H]([C....
97 7NSE - DA2 C8 H18 N4 O2 [H]/N=C(/N....
98 1DM6 - PH3 C7 H8 Cl N3 O c1cc(ccc1N....
99 5UOA Ki = 5.63 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
100 5ADN - H4B C9 H15 N5 O3 C[C@@H]([C....
101 3N6F - H4B C9 H15 N5 O3 C[C@@H]([C....
102 4UH9 Ki = 30238 nM S85 C18 H25 F N4 Cc1cc(nc(c....
103 1DMJ - AP4 C8 H9 N5 O3 C1[C@@H]2C....
104 2NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
105 1D1X - H4B C9 H15 N5 O3 C[C@@H]([C....
106 6POU Ki = 23.3 uM M16 C18 H19 N3 Cc1cc(nc2c....
107 4LUW Kd = 2.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
108 3NOS - HAR C6 H14 N4 O3 C(C[C@@H](....
109 6POX Ki = 18.2 uM OSJ C19 H21 N3 O CCOc1ccc(c....
110 3EAH ic50 = 0.04 uM 327 C10 H14 N2 O S [H]/N=C/1c....
111 6NHF - H4B C9 H15 N5 O3 C[C@@H]([C....
112 4D35 Ki = 4 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
113 6NH4 - KLA C20 H25 F2 N3 Cc1cc(nc(c....
114 1D0C - INE C7 H4 Br N3 O2 c1cc2c(c(c....
115 4CWV Ki = 148.9 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
116 4K5J Ki = 20196 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
117 1P6M Ki = 80 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
118 5UO8 Ki = 12.3 uM 8EV C19 H18 N4 O CNCc1cc(cc....
119 4CUL - ARG C6 H15 N4 O2 C(C[C@@H](....
120 4D3A Ki = 15.4 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
121 5UOD - 8EY C20 H20 N4 O Cc1cc(nc2c....
122 5VVG Ki = 0.115 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
123 6PP2 Ki = 8.31 uM OUM C25 H22 N4 O Cc1cc(nc2c....
124 1FOO - ARG C6 H15 N4 O2 C(C[C@@H](....
125 1M9Q - 5NI C7 H5 N3 O2 c1cc2c(cc1....
126 3PNH Ki = 19 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
127 4D1O - ARG C6 H15 N4 O2 C(C[C@@H](....
128 4D38 Ki = 10.32 uM L5Z C19 H20 F N5 c1cc(cc(c1....
129 5FJ3 Ki = 12.5 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
130 5VVN Ki = 0.581 uM P94 C19 H18 N4 c1cc(ccc1C....
131 6PP3 Ki = 23.7 uM OS7 C23 H22 N4 O Cc1cc(nc2c....
132 1DM8 - H4B C9 H15 N5 O3 C[C@@H]([C....
133 5UOC Ki = 22.2 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
134 4D33 Ki = 40 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
135 2HX2 Ki = 73 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
136 1I83 - NTU C18 H38 N4 S2 CS/C(=NCCC....
137 1ED4 Ki = 0.022 uM IPU C4 H10 N2 S CC(C)SC(=N....
138 5VV7 Ki = 1.04 uM XH8 C18 H20 N4 c1cc(cnc1)....
139 4KCP Ki = 2.7 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
140 1RS9 - D7P C15 H25 N7 O4 c1ccc(cc1)....
141 4UPT Ki = 3.34 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
142 4CX0 - H4B C9 H15 N5 O3 C[C@@H]([C....
143 1M9M - 6NI C7 H5 N3 O2 c1cc2cn[nH....
144 3JWX Ki = 20300 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
145 4CTZ Ki = 328000 nM S7K C22 H26 N4 Cc1ccnc(c1....
146 6PP4 Ki = 7.73 uM OUS C23 H22 N4 O Cc1cc(nc2c....
147 5ADK - H4B C9 H15 N5 O3 C[C@@H]([C....
148 3N5S Ki = 16100 nM XFK C21 H25 N5 Cc1cc(nc(c....
149 1ZZT Ki = 1.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
150 3JWW Ki = 26400 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
151 4CTY Ki = 14390 nM S5D C22 H27 N5 Cc1cc(nc(c....
152 5ADJ - M94 C19 H21 N3 O CNCCc1cccc....
153 6PP0 Ki = 22.8 uM OUP C22 H25 N3 O Cc1cc(nc2c....
154 3N6G - H4B C9 H15 N5 O3 C[C@@H]([C....
155 3NLE Ki = 19.2 uM JRR C21 H29 F N4 O Cc1cc(nc(c....
156 8NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
157 6CIE - 7R2 C19 H26 N4 S [H]/N=C(c1....
158 6POV Ki = 52.6 uM OUG C17 H17 N3 Cc1cc(nc2c....
159 1DMI - BHS C9 H15 N5 O3 C[C@H]([C@....
160 3NLH - H4B C9 H15 N5 O3 C[C@@H]([C....
161 4CWX Ki = 33.5 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
162 1M8D Kd ~ 4.3 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
163 1DF1 - ITU C3 H8 N2 S CCSC(=N)N
164 2NOS - AGU C H6 N4 C(=N)(N)NN
165 1R35 ic50 = 6.09 uM I58 C8 H16 F N3 O2 [H]/N=C(/C....
166 2ORR - 333 C20 H14 N4 O4 c1cc(ccc1n....
167 1DD7 ic50 = 28 nM 1PM C23 H25 N7 O5 COC(=O)N1C....
168 3NQS - H4B NO n/a n/a
169 2ORO ic50 = 0.29 nM 228 C22 H24 N6 O3 Cc1cc(nc(n....
170 3EAI ic50 = 0.074 uM 328 C19 H20 N4 O2 COc1ccnc(c....
171 1N2N - H4B C9 H15 N5 O3 C[C@@H]([C....
172 1M9T - H4B C9 H15 N5 O3 C[C@@H]([C....
173 2ORP ic50 = 1.9 nM R86 C27 H35 N7 O3 Cc1cc(nc(n....
174 3EBF ic50 = 0.4 uM 332 C17 H19 N3 O2 S c1cc2c(cc1....
175 1QW4 - H4B C9 H15 N5 O3 C[C@@H]([C....
176 1JWK - HBI C9 H13 N5 O3 C[C@@H]([C....
177 2ORQ - MR1 C8 H9 N O2 c1cc2c(cc1....
178 3E6N ic50 = 0.015 uM AS3 C9 H14 N2 CCCc1cc(cc....
179 3E65 ic50 = 0.13 uM XXZ C20 H22 F N5 O c1cc2c(c(c....
180 3E6T ic50 = 1.2 uM 1A2 C21 H22 F2 N6 O CCN1c2c(cc....
181 3E7M - H4B C9 H15 N5 O3 C[C@@H]([C....
182 1DWW - HAR C6 H14 N4 O3 C(C[C@@H](....
183 3E68 ic50 = 0.12 uM AT6 C16 H16 N4 O Cc1cc(nc(c....
184 3E6L ic50 = 0.72 uM A11 C13 H18 Cl N3 O2 CCOC(=O)N1....
185 3EBD ic50 = 0.04 uM 329 C8 H10 N2 O S C[C@H]1CN=....
186 2ORT - 342 C22 H23 N3 O3 c1cc(ccc1n....
187 5UNZ Ki = 0.061 uM M4R C22 H24 N4 O Cc1cc(nc2c....
188 4UGZ Ki = 130 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
189 6AUV Ki = 47 nM W79 C21 H24 N4 Cc1cc(nc(c....
190 3NLP - H4B C9 H15 N5 O3 C[C@@H]([C....
191 4JSE Ki = 48 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
192 6AV1 Ki = 30 nM W69 C19 H26 F N3 Cc1cc(nc(c....
193 1ZZR Ki = 42 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
194 6PO7 Ki = 0.046 uM OU1 C21 H23 N3 O Cc1cc(nc2c....
195 3NLW Ki = 2.7 uM 3XF C20 H33 F2 N5 O Cc1cc(nc(c....
196 4CTX Ki = 70 nM 71S C22 H28 N6 Cc1cc(nc(c....
197 4D7O Ki = 525 nM 0GD C21 H22 F N3 Cc1cc(nc(c....
198 4CAQ Ki = 0.066 uM M68 C19 H20 Cl N3 c1cc(cc(c1....
199 3N5Y Ki = 99 nM XFL C21 H25 N5 Cc1cc(nc(c....
200 5UNS Ki = 0.054 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
201 5FVW Ki = 13 nM W66 C17 H24 N4 Cc1cc(nc(c....
202 6NGP Ki = 33 nM KKY C21 H28 F N3 Cc1cc(nc(c....
203 6NGL Ki = 31 nM KMA C20 H26 F N3 Cc1cc(nc(c....
204 5VUT Ki = 0.019 uM 9OG C20 H20 N4 Cc1cc(nc2c....
205 2HX3 Ki = 0.12 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
206 3JX3 Ki = 180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
207 4UPN Ki = 0.0147 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
208 5ADI Ki = 0.507 uM TUE C17 H16 N4 O C=NCc1cc(c....
209 4KCN Ki = 0.011 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
210 1LZX - H4B C9 H15 N5 O3 C[C@@H]([C....
211 1MMW - H4B C9 H15 N5 O3 C[C@@H]([C....
212 6AV4 Ki = 100 nM W80 C21 H24 N4 Cc1cc(nc(c....
213 5VUY Ki = 0.274 uM P64 C20 H24 N4 CN(C)c1ccc....
214 4UH4 Ki = 24 nM Q1T C19 H25 N5 Cc1cc(nc(c....
215 4CX4 - HW9 C22 H32 N4 O Cc1ccnc(c1....
216 3JT6 Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
217 5UNY Ki = 0.05 uM M4R C22 H24 N4 O Cc1cc(nc2c....
218 6PNA Ki = 0.122 uM M16 C18 H19 N3 Cc1cc(nc2c....
219 3JX1 Ki = 290 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
220 3NLM Ki = 7.2 nM JRR C21 H29 F N4 O Cc1cc(nc(c....
221 4CAM Ki = 0.075 uM M87 C18 H18 F N3 c1cc(cc(c1....
222 1OM5 - H4B C9 H15 N5 O3 C[C@@H]([C....
223 4D31 Ki = 0.183 uM OLW C17 H16 N6 c1cc(cc(c1....
224 5AD8 Ki = 0.16 uM 9M9 C17 H17 N3 O c1cc(cc(c1....
225 6NGU Ki = 79 nM KMJ C19 H25 F2 N3 Cc1cc(nc(c....
226 5UNU Ki = 0.033 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
227 3UFT Ki = 0.117 uM HW7 C21 H27 Cl F N3 O2 Cc1cc(nc(c....
228 3N63 - XFN C22 H27 N5 Cc1cc(nc(c....
229 3TYL Ki = 0.41 uM AXW C20 H27 F N4 O Cc1cc(nc(c....
230 4EUX Ki = 0.038 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
231 1QWC - H4B C9 H15 N5 O3 C[C@@H]([C....
232 4IMT Ki = 0.11 uM 1EW C25 H33 N5 Cc1cc(nc(c....
233 6PN5 Ki = 0.052 uM OS7 C23 H22 N4 O Cc1cc(nc2c....
234 3JTA Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
235 3Q99 - H4B C9 H15 N5 O3 C[C@@H]([C....
236 6NG1 Ki = 58 nM KLY C18 H20 F N3 Cc1cc(nc(c....
237 3DQR Ki = 0.388 uM JI2 C12 H21 N5 c1cc(nc(c1....
238 5VV4 Ki = 0.02 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
239 3B3M Ki = 47.94 uM JI1 C13 H22 N4 O c1cc(nc(c1....
240 6PO9 Ki = 0.076 uM OS7 C23 H22 N4 O Cc1cc(nc2c....
241 5G0O Ki = 748 nM W64 C18 H25 N5 Cc1cc(nc(c....
242 6AUR Ki = 41 nM W68 C18 H24 F N3 Cc1cc(nc(c....
243 4K5F Ki = 232 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
244 5FVO - D8H C17 H24 N4 O Cc1cc(nc(c....
245 3JT7 Ki = 59 uM JM5 C10 H21 N3 O2 S [H]/N=C(/C....
246 6NGB Ki = 157 nM KMJ C19 H25 F2 N3 Cc1cc(nc(c....
247 5AD5 Ki = 0.332 uM M94 C19 H21 N3 O CNCCc1cccc....
248 6AUW Ki = 57 nM W80 C21 H24 N4 Cc1cc(nc(c....
249 4K5E Ki = 32 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
250 6AV2 - BY7 C20 H26 F3 N3 Cc1cc(nc(c....
251 4JSF Ki = 86 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
252 1M00 - BHH C5 H13 N3 O CCCCNC(=N)....
253 6NGX Ki = 27 nM KMV C18 H19 F2 N3 Cc1cc(nc(c....
254 3JWU Ki = 171 nM J11 C21 H30 F N5 Cc1cc(nc(c....
255 5FVQ Ki = 43 nM W64 C18 H25 N5 Cc1cc(nc(c....
256 3UFU Ki = 0.074 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
257 5VV1 Ki = 0.073 uM 9OS C19 H22 N4 O COc1ccncc1....
258 1ZVI - H4B C9 H15 N5 O3 C[C@@H]([C....
259 5VUV Ki = 0.768 uM M62 C16 H14 F N3 c1cc(cc(c1....
260 3NLN - H4B C9 H15 N5 O3 C[C@@H]([C....
261 1OM4 - H4B C9 H15 N5 O3 C[C@@H]([C....
262 3B3P Ki = 0.25 uM JI7 C20 H28 Cl N5 Cc1cc(nc(c....
263 3N5V - H4B C9 H15 N5 O3 C[C@@H]([C....
264 4CTW Ki = 24 nM S71 C22 H28 N6 Cc1cc(nc(c....
265 4CTP Ki = 144 nM 2IK C22 H27 N5 Cc1cc(nc(c....
266 6PNB Ki = 0.088 uM OSY C17 H17 N3 Cc1cc(nc2c....
267 4CTT Ki = 903 nM S7K C22 H26 N4 Cc1ccnc(c1....
268 4FVW - H4B C9 H15 N5 O3 C[C@@H]([C....
269 6AV5 Ki = 83 nM W82 C22 H24 F N3 Cc1cc(nc(c....
270 3HSO - H4B C9 H15 N5 O3 C[C@@H]([C....
271 6CIC - H4B C9 H15 N5 O3 C[C@@H]([C....
272 6NGS Ki = 19 nM KL1 C19 H25 F2 N3 Cc1cc(nc(c....
273 5ADB Kd = 0.058 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
274 4CTR Ki = 70 nM S20 C22 H26 N4 O Cc1cc(nc(c....
275 1LZZ - H4B C9 H15 N5 O3 C[C@@H]([C....
276 3TYN Ki = 0.39 uM CXW C20 H28 N4 O2 Cc1cc(nc(c....
277 4KCM Ki = 0.049 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
278 6NG4 Ki = 68 nM KMA C20 H26 F N3 Cc1cc(nc(c....
279 6NHB Ki = 55 nM KNS C23 H31 F2 N3 O CCO[C@@H]1....
280 3UFR Ki = 0.637 uM H5W C21 H26 F N3 O Cc1cc(nc(c....
281 4K5D Ki = 382 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
282 3B3N Ki = 388 nM JI2 C12 H21 N5 c1cc(nc(c1....
283 5AGN Ki = 1.5 uM 4JK C7 H15 N3 O3 [H]/N=C(CO....
284 4UH6 Ki = 55 nM Q1T C19 H25 N5 Cc1cc(nc(c....
285 5UNX Ki = 0.042 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
286 3JWT Ki = 5.3 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
287 3JX5 - H4B C9 H15 N5 O3 C[C@@H]([C....
288 3NNY Ki = 50 nM 59R C20 H27 F N4 O c1cc(cc(c1....
289 6PMV Ki = 0.105 uM M16 C18 H19 N3 Cc1cc(nc2c....
290 4CTV Ki = 123 nM 7S7 C22 H28 N6 Cc1cc(nc(c....
291 2G6K - H4B C9 H15 N5 O3 C[C@@H]([C....
292 1VAG - H4B C9 H15 N5 O3 C[C@@H]([C....
293 4UCH Ki = 0.138 uM OLW C17 H16 N6 c1cc(cc(c1....
294 3N5X Ki = 103 nM XFK C21 H25 N5 Cc1cc(nc(c....
295 5VV3 Ki = 0.032 uM P94 C19 H18 N4 c1cc(ccc1C....
296 5VUM Ki = 0.038 uM XH8 C18 H20 N4 c1cc(cnc1)....
297 6NGJ Ki = 32 nM KLY C18 H20 F N3 Cc1cc(nc(c....
298 6NGN Ki = 28 nM KL4 C20 H26 F N3 Cc1cc(nc(c....
299 6CID - F2J C18 H20 N4 S [H]/N=C(c1....
300 6AUS Ki = 252 nM BYV C19 H24 N4 Cc1cc(nc(c....
301 3NLK Ki = 116 nM JSS C21 H29 F N4 O Cc1cc(nc(c....
302 3N61 - H4B C9 H15 N5 O3 C[C@@H]([C....
303 5UO6 Ki = 0.065 uM M4R C22 H24 N4 O Cc1cc(nc2c....
304 4FVX Ki = 26 uM 2KJ C8 H18 N4 O3 [H]/N=C(NC....
305 1P6J Ki = 0.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
306 4JSG Ki = 60 nM Q10 C16 H21 N3 O2 Cc1cc(nc(c....
307 6PNC Ki = 0.06 uM OUG C17 H17 N3 Cc1cc(nc2c....
308 4GQE Ki = 7.4 mM 6KJ C10 H20 N4 O3 [H]/N=C(NO....
309 4IMU Ki = 0.053 uM 1ET C23 H29 N5 Cc1cc(nc(c....
310 3N65 - H4B C9 H15 N5 O3 C[C@@H]([C....
311 5VUI Ki = 0.575 uM M62 C16 H14 F N3 c1cc(cc(c1....
312 2G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
313 4D1N - H4B C9 H15 N5 O3 C[C@@H]([C....
314 6NHD Ki = 26 nM KNV C20 H25 F2 N3 Cc1cc(nc(c....
315 6NGE Ki = 43 nM KMV C18 H19 F2 N3 Cc1cc(nc(c....
316 2G6L - HBI C9 H13 N5 O3 C[C@@H]([C....
317 6AUU Ki = 541 nM BY7 C20 H26 F3 N3 Cc1cc(nc(c....
318 3HSN - H4B C9 H15 N5 O3 C[C@@H]([C....
319 6PN7 Ki = 0.043 uM OUJ C21 H20 N4 O S Cc1cc(nc2c....
320 3NLR - H4B C9 H15 N5 O3 C[C@@H]([C....
321 3NLZ Ki = 0.085 uM 3XD C21 H28 F2 N4 O Cc1cc(nc(c....
322 5UO4 Ki = 0.061 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
323 6PNH Ki = 0.066 uM OSD C20 H23 N3 O Cc1cc(nc2c....
324 5VUU Ki = 0.025 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
325 3N62 - H4B C9 H15 N5 O3 C[C@@H]([C....
326 5ADC Ki = 0.043 uM TUE C17 H16 N4 O C=NCc1cc(c....
327 6NG6 Ki = 59 nM KL4 C20 H26 F N3 Cc1cc(nc(c....
328 5VUZ Ki = 0.108 uM XH8 C18 H20 N4 c1cc(cnc1)....
329 4V3U Ki = 0.125 uM EG8 C17 H20 N6 c1cc(cnc1)....
330 4D32 Ki = 0.06 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
331 6NGV Ki = 47 nM KMM C19 H24 F3 N3 Cc1cc(nc(c....
332 5VUO Ki = 0.05 uM 9OS C19 H22 N4 O COc1ccncc1....
333 4KCO Ki = 0.073 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
334 4FVY - 3KJ C7 H16 N4 O3 [H]/N=C(/N....
335 5AD7 Ki = 0.569 uM M85 C18 H19 N3 O CNCc1cccc(....
336 5AGK Ki = 53 uM RGE C8 H17 N3 O3 S [H]/N=C(CS....
337 4KCK Ki = 0.005 uM H45 C25 H25 N5 S2 [H]/N=C(c1....
338 5UO5 Ki = 0.074 uM M4R C22 H24 N4 O Cc1cc(nc2c....
339 3UFS Ki = 0.23 uM HW6 C22 H29 Cl F N3 O Cc1cc(nc(c....
340 5VUX Ki = 0.764 uM 9P1 C19 H22 N4 CN(C)c1ccc....
341 6AUT Ki = 26 nM W69 C19 H26 F N3 Cc1cc(nc(c....
342 3JX6 Ki = 2180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
343 6NG2 Ki = 124 nM KM7 C19 H22 F N3 Cc1cc(nc(c....
344 4D2Y Ki = 0.018 uM L5Z C19 H20 F N5 c1cc(cc(c1....
345 1K2U - H4B C9 H15 N5 O3 C[C@@H]([C....
346 6PO8 Ki = 0.000000114 OUM C25 H22 N4 O Cc1cc(nc2c....
347 1ZZU Ki = 63.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
348 4JSH Ki = 117 nM Q15 C19 H25 N3 O2 Cc1cc(nc(c....
349 4IMW Ki = 0.056 uM 1EV C23 H25 N5 Cc1cc(nc(c....
350 3UFP Ki = 0.922 uM H4W C22 H30 F N3 O Cc1cc(nc(c....
351 5G0N Ki = 139.4 nM EXI C17 H25 N5 Cc1cc(nc(c....
352 6PMY Ki = 0.107 uM OT4 C18 H19 N3 Cc1cc(nc2c....
353 2G6I - HBI C9 H13 N5 O3 C[C@@H]([C....
354 3N60 Ki = 85 nM XFN C22 H27 N5 Cc1cc(nc(c....
355 5VV5 Ki = 0.03 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
356 6NGZ Ki = 13 nM KPJ C21 H27 F2 N3 Cc1cc(nc(c....
357 5VUK Ki = 0.522 uM 9P1 C19 H22 N4 CN(C)c1ccc....
358 6NHC Ki = 23 nM KNV C20 H25 F2 N3 Cc1cc(nc(c....
359 6NGC Ki = 58 nM KMM C19 H24 F3 N3 Cc1cc(nc(c....
360 5AD4 Ki = 0.468 uM 6M8 C20 H23 N3 O CN(C)CCc1c....
361 6NGQ Ki = 65 nM KLA C20 H25 F2 N3 Cc1cc(nc(c....
362 3PNF Ki = 0.17 uM 8BX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
363 3SVP Ki = 0.077 uM JK5 C21 H26 Cl F3 N4 O Cc1cc(nc(c....
364 6AUQ Ki = 48 nM BYJ C18 H25 N3 Cc1cc(nc(c....
365 5UO3 - 8EY C20 H20 N4 O Cc1cc(nc2c....
366 6PN6 Ki = 0.044 uM OUS C23 H22 N4 O Cc1cc(nc2c....
367 6POC Ki = 0.063 uM OU4 C21 H20 N4 O2 Cc1cc(nc2c....
368 4CX3 - HW8 C21 H30 N4 O Cc1cc(nc(c....
369 5AGP Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
370 4JSI Ki = 40 nM Q05 C22 H24 F N3 O Cc1cc(nc(c....
371 5VUW Ki = 1.02 uM JHT C19 H22 N4 CN(C)c1ccc....
372 4FVZ Ki = 28 uM 4KJ C8 H16 N4 O3 [H]/N=C(/N....
373 6PN1 Ki = 0.072 uM OSG C20 H23 N3 O CCCOc1ccc(....
374 3JWV Ki = 18.9 nM J14 C21 H30 F N5 Cc1cc(nc(c....
375 6AUZ Ki = 65 nM W68 C18 H24 F N3 Cc1cc(nc(c....
376 6NG5 Ki = 52 nM KMD C21 H28 F N3 Cc1cc(nc(c....
377 2HX4 Ki = 0.31 uM 4HX C11 H22 N8 O5 [H]/N=C(/N....
378 5ADF Ki = 0.657 uM 2SN C19 H22 N4 CN(C)Cc1cc....
379 5VV0 Ki = 0.13 uM 9OM C19 H22 N4 Cc1ccncc1C....
380 4D3B Ki = 0.368 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
381 3HSP - H4B C9 H15 N5 O3 C[C@@H]([C....
382 6NGT Ki = 60 nM KL7 C19 H25 F2 N3 Cc1cc(nc(c....
383 6PND - H4B C9 H15 N5 O3 C[C@@H]([C....
384 5FVT Ki = 25 nM W67 C18 H26 N4 Cc1cc(nc(c....
385 4V3X Ki = 0.138 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
386 5AGL Ki = 58.3 uM CCW C8 H17 N3 O4 S CS(=O)(=O)....
387 4D30 Ki = 0.054 uM EG8 C17 H20 N6 c1cc(cnc1)....
388 4CTU Ki = 53 nM S42 C23 H29 N5 Cc1cc(nc(c....
389 5UO0 Ki = 0.05 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
390 6PNE - H4B C9 H15 N5 O3 C[C@@H]([C....
391 3N2R Ki = 3 uM XJH C22 H23 N3 O2 c1ccc(cc1)....
392 3NLX Ki = 0.036 uM 3XB C21 H27 F3 N4 O Cc1cc(nc(c....
393 4CAP Ki = 0.06 uM ML6 C19 H20 F N3 c1cc(cc(c1....
394 5FVU Ki = 84 nM W64 C18 H25 N5 Cc1cc(nc(c....
395 6NH0 Ki = 62 nM KND C21 H27 F2 N3 O Cc1cc(nc(c....
396 3NLJ - H4B C9 H15 N5 O3 C[C@@H]([C....
397 5AGM Ki = 22.9 uM WT2 C7 H13 N3 O3 C(C[C@@H](....
398 4KCJ Ki = 0.13 uM H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
399 5FVX Ki = 37 nM W67 C18 H26 N4 Cc1cc(nc(c....
400 4UPO Ki = 0.0281 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
401 1K2T - H4B C9 H15 N5 O3 C[C@@H]([C....
402 5VUN Ki = 0.09 uM 9OM C19 H22 N4 Cc1ccncc1C....
403 3JT4 Ki = 33 uM JM8 C10 H21 N3 O2 S [H]/N=C(CC....
404 6NGK Ki = 58 nM KM7 C19 H22 F N3 Cc1cc(nc(c....
405 6NGY Ki = 27 nM KN4 C21 H27 F2 N3 Cc1cc(nc(c....
406 5ADD - M85 C18 H19 N3 O CNCc1cccc(....
407 4V3W Ki = 0.183 uM E2Z C17 H18 F N5 c1cc(cc(c1....
408 3NLQ - H4B C9 H15 N5 O3 C[C@@H]([C....
409 5VUS Ki = 0.031 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
410 4UH5 Ki = 59 nM EXI C17 H25 N5 Cc1cc(nc(c....
411 6POB Ki = 0.031 uM OUJ C21 H20 N4 O S Cc1cc(nc2c....
412 6PN9 Ki = 0.053 uM OU7 C21 H20 N4 O S Cc1cc(nc2c....
413 3JWS Ki = 52.2 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
414 3UFV Ki = 0.031 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
415 5UNV Ki = 0.033 uM 8J7 C20 H23 N3 Cc1cc(nc2c....
416 3NNZ Ki = 220 nM 59W C20 H27 F N4 O c1cc(cc(c1....
417 3JX4 - H4B C9 H15 N5 O3 C[C@@H]([C....
418 3N64 - XFN C22 H27 N5 Cc1cc(nc(c....
419 6PN0 Ki = 0.058 uM OSJ C19 H21 N3 O CCOc1ccc(c....
420 6NG8 Ki = 29 nM KL1 C19 H25 F2 N3 Cc1cc(nc(c....
421 5VUJ Ki = 0.421 uM JHT C19 H22 N4 CN(C)c1ccc....
422 3JT3 Ki = 0.9 uM JM2 C8 H17 N3 O2 S [H]/N=C(CS....
423 5ADE - XEB C18 H18 Cl N3 O CNCc1cc(cc....
424 2G6J - 7AP C9 H12 N6 O2 C[C@@H]([C....
425 6PO5 Ki = 0.096 uM OUP C22 H25 N3 O Cc1cc(nc2c....
426 3UFQ Ki = 15.402 uM HW5 C22 H28 F N3 O Cc1cc(nc(c....
427 3TYM Ki = 0.82 uM 08R C21 H30 N4 O2 Cc1cc(nc(c....
428 4JSJ Ki = 140 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
429 4UH1 Ki = 17 nM EXI C17 H25 N5 Cc1cc(nc(c....
430 6NGF Ki = 37 nM KN4 C21 H27 F2 N3 Cc1cc(nc(c....
431 5AD9 Ki = 0.283 uM 8VJ C19 H21 N3 O CN(C)Cc1cc....
432 3SVQ Ki = 0.18 uM JK4 C21 H26 F4 N4 O Cc1cc(nc(c....
433 1P6I Ki = 0.15 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
434 6PMZ Ki = 0.285 uM OUA C16 H16 N4 Cc1cc(nc2c....
435 3Q9A - H4B C9 H15 N5 O3 C[C@@H]([C....
436 4CAO Ki = 0.164 uM M46 C20 H22 F N3 c1cc(cc(c1....
437 4V3Y Ki = 0.032 uM HLW C18 H20 Cl N5 c1cc(cc(c1....
438 5VUR Ki = 0.021 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
439 5G0P Ki = 108 nM W67 C18 H26 N4 Cc1cc(nc(c....
440 6POT Ki = 0.046 uM OU7 C21 H20 N4 O S Cc1cc(nc2c....
441 5UO2 Ki = 0.125 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
442 2G6N - HBI C9 H13 N5 O3 C[C@@H]([C....
443 5ADG Ki = 0.295 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
444 4UPP Ki = 0.0282 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
445 6PNF Ki = 0.111 uM OSJ C19 H21 N3 O CCOc1ccc(c....
446 4LUX Kd = 0.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
447 4CX5 - HW8 C21 H30 N4 O Cc1cc(nc(c....
448 4V3V Ki = 0.138 uM S8F C17 H18 F N5 c1cc(cc(c1....
449 6AUX Ki = 44 nM W82 C22 H24 F N3 Cc1cc(nc(c....
450 6PN4 Ki = 0.039 uM OU1 C21 H23 N3 O Cc1cc(nc2c....
451 4K5G Ki = 37 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
452 3NLY Ki = 0.16 uM 3XC C21 H27 F3 N4 O Cc1cc(nc(c....
453 6NHE Ki = 55 nM KNS C23 H31 F2 N3 O CCO[C@@H]1....
454 5FVP Ki = 547 nM WOS C17 H22 N4 O Cc1cc(nc(c....
455 3JT5 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
456 5AGO Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
457 5VUP Ki = 0.216 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
458 5FW0 Ki = 1768 nM W30 C17 H24 N4 O Cc1cc(nc(c....
459 4KCI Ki = 0.739 uM 1QE C24 H22 N4 S2 [H]/N=C(Nc....
460 4UPM Ki = 0.059 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
461 6NGA Ki = 36 nM KL7 C19 H25 F2 N3 Cc1cc(nc(c....
462 6NGW Ki = 45 nM KMS C19 H24 F3 N3 Cc1cc(nc(c....
463 3PNE Ki = 0.086 uM 8AX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
464 5UNW Ki = 0.036 uM 8F7 C21 H22 N4 Cc1cc(nc2c....
465 4V3Z Ki = 0.056 uM 9HL C19 H20 F N5 c1cc(cc(c1....
466 5FVR Ki = 72 nM H65 C19 H26 N4 Cc1cc(nc(c....
467 4CDT Ki = 0.049 uM M48 C19 H20 F N3 c1cc(cc(c1....
468 4FW0 Ki > 10 mM 5KJ C7 H16 N4 O3 [H]/N=C(NO....
469 6PN8 Ki = 0.043 uM OU4 C21 H20 N4 O2 Cc1cc(nc2c....
470 6POA Ki = 0.045 uM OUS C23 H22 N4 O Cc1cc(nc2c....
471 4UH2 Ki = 67 nM S84 C19 H25 F3 N4 Cc1cc(nc(c....
472 6NG7 Ki = 204 nM KLD C21 H27 F2 N3 Cc1cc(nc(c....
473 5UO7 Ki = 0.046 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
474 3JT8 - H4B C9 H15 N5 O3 C[C@@H]([C....
475 1ZVL - H4B C9 H15 N5 O3 C[C@@H]([C....
476 6PN3 Ki = 0.049 uM OUP C22 H25 N3 O Cc1cc(nc2c....
477 4CTQ Ki = 122 nM S5D C22 H27 N5 Cc1cc(nc(c....
478 4IMS Ki = 0.54 uM 12S C25 H33 N5 Cc1cc(nc(c....
479 3TYO Ki = 0.4 uM DXW C18 H26 N4 O2 Cc1cc(nc(c....
480 1RS7 - D7P C15 H25 N7 O4 c1ccc(cc1)....
481 4KCL Ki = 0.005 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
482 3NLO - H4B C9 H15 N5 O3 C[C@@H]([C....
483 4UH0 Ki = 35 nM SKO C17 H25 N5 Cc1cc(nc(c....
484 3UFO Ki = 9.057 uM HW4 C22 H30 F N3 O Cc1cc(nc(c....
485 6NGR Ki = 128 nM KLD C21 H27 F2 N3 Cc1cc(nc(c....
486 6PN2 Ki = 0.071 uM OSD C20 H23 N3 O Cc1cc(nc2c....
487 4D2Z Ki = 0.15 uM K9L C19 H20 F N5 c1cc(cc(c1....
488 5UNR Ki = 0.035 uM 8EV C19 H18 N4 O CNCc1cc(cc....
489 5ADA Ki = 0.375 uM 2SN C19 H22 N4 CN(C)Cc1cc....
490 1P6K Ki = 67 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
491 5FVV Ki = 89 nM H65 C19 H26 N4 Cc1cc(nc(c....
492 6PMX Ki = 0.000000114 OUG C17 H17 N3 Cc1cc(nc2c....
493 6NGD Ki = 46 nM KMS C19 H24 F3 N3 Cc1cc(nc(c....
494 6AV0 Ki = 516 nM BYV C19 H24 N4 Cc1cc(nc(c....
495 3JX2 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
496 3UFW Ki = 0.03 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
497 5VV2 Ki = 0.164 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
498 5UO1 Ki = 0.036 uM 8EV C19 H18 N4 O CNCc1cc(cc....
499 6PNG Ki = 0.058 uM OSG C20 H23 N3 O CCCOc1ccc(....
500 3N5W Ki = 25 nM XFJ C21 H25 N5 Cc1cc(nc(c....
501 3PNG Ki = 0.026 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
502 3B3O Ki = 0.085 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
503 4C39 Ki = 9.7 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
504 6PMW Ki = 0.045 uM OSY C17 H17 N3 Cc1cc(nc2c....
505 5VUL Ki = 0.036 uM P64 C20 H24 N4 CN(C)c1ccc....
506 1K2R - H4B C9 H15 N5 O3 C[C@@H]([C....
507 1QW6 - H4B C9 H15 N5 O3 C[C@@H]([C....
508 3JT9 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
509 3JX0 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
510 5AD6 Ki = 0.179 uM 7M3 C19 H21 N3 O CN(C)Cc1cc....
511 1MMV - H4B C9 H15 N5 O3 C[C@@H]([C....
512 4UH3 Ki = 34 nM S85 C18 H25 F N4 Cc1cc(nc(c....
513 6NGI Ki = 89 nM KND C21 H27 F2 N3 O Cc1cc(nc(c....
514 1ZZQ Ki = 20 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
515 6AV3 Ki = 82 nM W79 C21 H24 N4 Cc1cc(nc(c....
516 6NGM Ki = 26 nM KMD C21 H28 F N3 Cc1cc(nc(c....
517 1P6H Ki = 0.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
518 6AUY Ki = 55 nM BYJ C18 H25 N3 Cc1cc(nc(c....
519 5FVS Ki = 16 nM W66 C17 H24 N4 Cc1cc(nc(c....
520 3NM0 Ki = 0.17 uM 3XE C21 H32 F2 N4 O C[C@H]1C[C....
521 3N66 - XFN C22 H27 N5 Cc1cc(nc(c....
522 6NGH Ki = 21 nM KPJ C21 H27 F2 N3 Cc1cc(nc(c....
523 5VUQ Ki = 0.037 uM P94 C19 H18 N4 c1cc(ccc1C....
524 2G6M - H4B C9 H15 N5 O3 C[C@@H]([C....
525 3NLV Ki = 0.39 uM 3XA C21 H27 F3 N4 O Cc1cc(nc(c....
526 3N5Z Ki = 195 nM XFM C21 H25 N5 Cc1cc(nc(c....
527 1RS6 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
528 4CAN Ki = 0.254 uM M7K C18 H18 F N3 c1cc(cc(c1....
529 4CX6 - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
530 4KCH Ki = 0.787 uM H38 C22 H18 N4 S2 [H]/N=C(Nc....
531 5UNT Ki = 0.039 uM 8J1 C19 H21 N3 O Cc1cc(nc2c....
532 4NOS Ki = 19 nM ITU C3 H8 N2 S CCSC(=N)N
533 3E7G ic50 = 0.35 uM AT2 C14 H21 N3 O2 CCOC(=O)N1....
50% Homology Family (533)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 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 6NH7 - KMM C19 H24 F3 N3 Cc1cc(nc(c....
13 4CWW Ki = 45.2 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
14 1M9K Kd ~ 250 uM 7NI C7 H5 N3 O2 c1cc2cn[nH....
15 3N67 - H4B C9 H15 N5 O3 C[C@@H]([C....
16 4UHA Ki = 24950 nM Q1T C19 H25 N5 Cc1cc(nc(c....
17 1FOP - ARG C6 H15 N4 O2 C(C[C@@H](....
18 4D1P - H4B C9 H15 N5 O3 C[C@@H]([C....
19 5VVD - H4B C9 H15 N5 O3 C[C@@H]([C....
20 3JWZ Ki = 57100 nM J14 C21 H30 F N5 Cc1cc(nc(c....
21 4CU0 Ki = 68520 nM S71 C22 H28 N6 Cc1cc(nc(c....
22 3N6E - H4B C9 H15 N5 O3 C[C@@H]([C....
23 4NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
24 4D34 Ki = 10.5 uM E2Z C17 H18 F N5 c1cc(cc(c1....
25 1FOI - 14W C10 H15 N3 [H]/N=C(/C....
26 5FVY - H4B C9 H15 N5 O3 C[C@@H]([C....
27 4IMX Ki = 26.4 uM 1EV C23 H25 N5 Cc1cc(nc(c....
28 5ADM - 9M9 C17 H17 N3 O c1cc(cc(c1....
29 2G6O - ARG C6 H15 N4 O2 C(C[C@@H](....
30 3JWY Ki = 34500 nM J11 C21 H30 F N5 Cc1cc(nc(c....
31 4K5I Ki = 15213 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
32 5FJ2 - XEB C18 H18 Cl N3 O CNCc1cc(cc....
33 4CWZ - H4B C9 H15 N5 O3 C[C@@H]([C....
34 4CVG - ARG C6 H15 N4 O2 C(C[C@@H](....
35 1D1W Ki = 0.35 uM ATQ C3 H6 N2 S C1CSC(=N1)....
36 4D39 Ki = 10.5 uM OLW C17 H16 N6 c1cc(cc(c1....
37 1ZZS Ki = 5.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
38 4UPS Ki = 3.63 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
39 6NH8 - KMS C19 H24 F3 N3 Cc1cc(nc(c....
40 5VV8 Ki = 0.092 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
41 4KCQ Ki = 41.4 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
42 4JSK Ki = 979 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
43 5ADL - H4B C9 H15 N5 O3 C[C@@H]([C....
44 9NSE Ki = 0.039 uM ISU C3 H8 N2 Se [H]/N=C(/N....
45 3DQS Ki = 85.2 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
46 5VV9 Ki = 1.22 uM 9OG C20 H20 N4 Cc1cc(nc2c....
47 4CUN - ARG C6 H15 N4 O2 C(C[C@@H](....
48 6NH1 - KLY C18 H20 F N3 Cc1cc(nc(c....
49 1P6N Ki = 110 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
50 5FVZ Ki = 16637 nM W67 C18 H26 N4 Cc1cc(nc(c....
51 4CUM - WS7 C11 H15 N5 O CC12CCCCC1....
52 1D1V - H4B C9 H15 N5 O3 C[C@@H]([C....
53 6POW - OUA C16 H16 N4 Cc1cc(nc2c....
54 6NH5 - KLD C21 H27 F2 N3 Cc1cc(nc(c....
55 6AV6 Ki = 39505 nM W68 C18 H24 F N3 Cc1cc(nc(c....
56 4KCS Ki = 21.7 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
57 4K5K Ki = 2542 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
58 4CWY Ki = 26.1 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
59 3NLG Ki = 36.19 uM JSR C21 H29 F N4 O Cc1cc(nc(c....
60 3NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
61 4UPQ Ki = 12.44 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
62 6POZ Ki = 20.2 uM OSD C20 H23 N3 O Cc1cc(nc2c....
63 1D1Y - 3BT C12 H18 N4 S2 [H]/N=C(N)....
64 6NH6 - H4B C9 H15 N5 O3 C[C@@H]([C....
65 1DMK - AP6 C12 H14 N6 c1ccc(cc1)....
66 4D37 Ki = 4 uM 9HL C19 H20 F N5 c1cc(cc(c1....
67 6AV7 Ki = 83976 nM W69 C19 H26 F N3 Cc1cc(nc(c....
68 4UH7 Ki = 20240 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
69 3N5P Ki = 20000 nM XFM C21 H25 N5 Cc1cc(nc(c....
70 3NLD Ki = 26.2 uM JSS C21 H29 F N4 O Cc1cc(nc(c....
71 4CX2 - H2B C9 H13 N5 O3 C[C@@H]([C....
72 4CAR Ki = 0.485 uM M87 C18 H18 F N3 c1cc(cc(c1....
73 4JSL Ki = 2154 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
74 6NSE - GGB C5 H12 N4 O3 [H]/N=C(N)....
75 5VVB - 9P7 C20 H20 N4 Cc1cc(ccc1....
76 4K5H Ki = 26446 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
77 4C3A Ki = 6727 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
78 5UOB Ki = 16.1 uM M4R C22 H24 N4 O Cc1cc(nc2c....
79 1M9J Kd ~ 0.6 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
80 1FOL - ARG C6 H15 N4 O2 C(C[C@@H](....
81 1D0O - INE C7 H4 Br N3 O2 c1cc2c(c(c....
82 5VV6 Ki = 1.57 uM P64 C20 H24 N4 CN(C)c1ccc....
83 4JSM Ki = 10366 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
84 6NH2 - KMA C20 H26 F N3 Cc1cc(nc(c....
85 4UH8 Ki = 12910 nM EXI C17 H25 N5 Cc1cc(nc(c....
86 4CX1 - H2B C9 H13 N5 O3 C[C@@H]([C....
87 1P6L Ki = 107 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
88 1NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
89 4KCR Ki = 0.9 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
90 6NH3 - KL4 C20 H26 F N3 Cc1cc(nc(c....
91 5VVC - 9OJ C21 H22 N4 Cc1cc(ccc1....
92 1ED6 - ILO C7 H15 N3 O2 CC(=N)NCCC....
93 1RS8 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
94 6POY Ki = 12.9 uM OSG C20 H23 N3 O CCCOc1ccc(....
95 6PP1 Ki = 21 uM OU1 C21 H23 N3 O Cc1cc(nc2c....
96 3NLI - H4B C9 H15 N5 O3 C[C@@H]([C....
97 7NSE - DA2 C8 H18 N4 O2 [H]/N=C(/N....
98 1DM6 - PH3 C7 H8 Cl N3 O c1cc(ccc1N....
99 5UOA Ki = 5.63 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
100 5ADN - H4B C9 H15 N5 O3 C[C@@H]([C....
101 3N6F - H4B C9 H15 N5 O3 C[C@@H]([C....
102 4UH9 Ki = 30238 nM S85 C18 H25 F N4 Cc1cc(nc(c....
103 1DMJ - AP4 C8 H9 N5 O3 C1[C@@H]2C....
104 2NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
105 1D1X - H4B C9 H15 N5 O3 C[C@@H]([C....
106 6POU Ki = 23.3 uM M16 C18 H19 N3 Cc1cc(nc2c....
107 4LUW Kd = 2.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
108 3NOS - HAR C6 H14 N4 O3 C(C[C@@H](....
109 6POX Ki = 18.2 uM OSJ C19 H21 N3 O CCOc1ccc(c....
110 3EAH ic50 = 0.04 uM 327 C10 H14 N2 O S [H]/N=C/1c....
111 6NHF - H4B C9 H15 N5 O3 C[C@@H]([C....
112 4D35 Ki = 4 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
113 6NH4 - KLA C20 H25 F2 N3 Cc1cc(nc(c....
114 1D0C - INE C7 H4 Br N3 O2 c1cc2c(c(c....
115 4CWV Ki = 148.9 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
116 4K5J Ki = 20196 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
117 1P6M Ki = 80 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
118 5UO8 Ki = 12.3 uM 8EV C19 H18 N4 O CNCc1cc(cc....
119 4CUL - ARG C6 H15 N4 O2 C(C[C@@H](....
120 4D3A Ki = 15.4 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
121 5UOD - 8EY C20 H20 N4 O Cc1cc(nc2c....
122 5VVG Ki = 0.115 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
123 6PP2 Ki = 8.31 uM OUM C25 H22 N4 O Cc1cc(nc2c....
124 1FOO - ARG C6 H15 N4 O2 C(C[C@@H](....
125 1M9Q - 5NI C7 H5 N3 O2 c1cc2c(cc1....
126 3PNH Ki = 19 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
127 4D1O - ARG C6 H15 N4 O2 C(C[C@@H](....
128 4D38 Ki = 10.32 uM L5Z C19 H20 F N5 c1cc(cc(c1....
129 5FJ3 Ki = 12.5 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
130 5VVN Ki = 0.581 uM P94 C19 H18 N4 c1cc(ccc1C....
131 6PP3 Ki = 23.7 uM OS7 C23 H22 N4 O Cc1cc(nc2c....
132 1DM8 - H4B C9 H15 N5 O3 C[C@@H]([C....
133 5UOC Ki = 22.2 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
134 4D33 Ki = 40 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
135 2HX2 Ki = 73 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
136 1I83 - NTU C18 H38 N4 S2 CS/C(=NCCC....
137 1ED4 Ki = 0.022 uM IPU C4 H10 N2 S CC(C)SC(=N....
138 5VV7 Ki = 1.04 uM XH8 C18 H20 N4 c1cc(cnc1)....
139 4KCP Ki = 2.7 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
140 1RS9 - D7P C15 H25 N7 O4 c1ccc(cc1)....
141 4UPT Ki = 3.34 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
142 4CX0 - H4B C9 H15 N5 O3 C[C@@H]([C....
143 1M9M - 6NI C7 H5 N3 O2 c1cc2cn[nH....
144 3JWX Ki = 20300 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
145 4CTZ Ki = 328000 nM S7K C22 H26 N4 Cc1ccnc(c1....
146 6PP4 Ki = 7.73 uM OUS C23 H22 N4 O Cc1cc(nc2c....
147 5ADK - H4B C9 H15 N5 O3 C[C@@H]([C....
148 3N5S Ki = 16100 nM XFK C21 H25 N5 Cc1cc(nc(c....
149 1ZZT Ki = 1.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
150 3JWW Ki = 26400 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
151 4CTY Ki = 14390 nM S5D C22 H27 N5 Cc1cc(nc(c....
152 5ADJ - M94 C19 H21 N3 O CNCCc1cccc....
153 6PP0 Ki = 22.8 uM OUP C22 H25 N3 O Cc1cc(nc2c....
154 3N6G - H4B C9 H15 N5 O3 C[C@@H]([C....
155 3NLE Ki = 19.2 uM JRR C21 H29 F N4 O Cc1cc(nc(c....
156 8NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
157 6CIE - 7R2 C19 H26 N4 S [H]/N=C(c1....
158 6POV Ki = 52.6 uM OUG C17 H17 N3 Cc1cc(nc2c....
159 1DMI - BHS C9 H15 N5 O3 C[C@H]([C@....
160 3NLH - H4B C9 H15 N5 O3 C[C@@H]([C....
161 4CWX Ki = 33.5 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
162 1M8D Kd ~ 4.3 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
163 1DF1 - ITU C3 H8 N2 S CCSC(=N)N
164 2NOS - AGU C H6 N4 C(=N)(N)NN
165 1R35 ic50 = 6.09 uM I58 C8 H16 F N3 O2 [H]/N=C(/C....
166 2ORR - 333 C20 H14 N4 O4 c1cc(ccc1n....
167 1DD7 ic50 = 28 nM 1PM C23 H25 N7 O5 COC(=O)N1C....
168 3NQS - H4B NO n/a n/a
169 2ORO ic50 = 0.29 nM 228 C22 H24 N6 O3 Cc1cc(nc(n....
170 3EAI ic50 = 0.074 uM 328 C19 H20 N4 O2 COc1ccnc(c....
171 1N2N - H4B C9 H15 N5 O3 C[C@@H]([C....
172 1M9T - H4B C9 H15 N5 O3 C[C@@H]([C....
173 2ORP ic50 = 1.9 nM R86 C27 H35 N7 O3 Cc1cc(nc(n....
174 3EBF ic50 = 0.4 uM 332 C17 H19 N3 O2 S c1cc2c(cc1....
175 1QW4 - H4B C9 H15 N5 O3 C[C@@H]([C....
176 1JWK - HBI C9 H13 N5 O3 C[C@@H]([C....
177 2ORQ - MR1 C8 H9 N O2 c1cc2c(cc1....
178 3E6N ic50 = 0.015 uM AS3 C9 H14 N2 CCCc1cc(cc....
179 3E65 ic50 = 0.13 uM XXZ C20 H22 F N5 O c1cc2c(c(c....
180 3E6T ic50 = 1.2 uM 1A2 C21 H22 F2 N6 O CCN1c2c(cc....
181 3E7M - H4B C9 H15 N5 O3 C[C@@H]([C....
182 1DWW - HAR C6 H14 N4 O3 C(C[C@@H](....
183 3E68 ic50 = 0.12 uM AT6 C16 H16 N4 O Cc1cc(nc(c....
184 3E6L ic50 = 0.72 uM A11 C13 H18 Cl N3 O2 CCOC(=O)N1....
185 3EBD ic50 = 0.04 uM 329 C8 H10 N2 O S C[C@H]1CN=....
186 2ORT - 342 C22 H23 N3 O3 c1cc(ccc1n....
187 5UNZ Ki = 0.061 uM M4R C22 H24 N4 O Cc1cc(nc2c....
188 4UGZ Ki = 130 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
189 6AUV Ki = 47 nM W79 C21 H24 N4 Cc1cc(nc(c....
190 3NLP - H4B C9 H15 N5 O3 C[C@@H]([C....
191 4JSE Ki = 48 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
192 6AV1 Ki = 30 nM W69 C19 H26 F N3 Cc1cc(nc(c....
193 1ZZR Ki = 42 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
194 6PO7 Ki = 0.046 uM OU1 C21 H23 N3 O Cc1cc(nc2c....
195 3NLW Ki = 2.7 uM 3XF C20 H33 F2 N5 O Cc1cc(nc(c....
196 4CTX Ki = 70 nM 71S C22 H28 N6 Cc1cc(nc(c....
197 4D7O Ki = 525 nM 0GD C21 H22 F N3 Cc1cc(nc(c....
198 4CAQ Ki = 0.066 uM M68 C19 H20 Cl N3 c1cc(cc(c1....
199 3N5Y Ki = 99 nM XFL C21 H25 N5 Cc1cc(nc(c....
200 5UNS Ki = 0.054 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
201 5FVW Ki = 13 nM W66 C17 H24 N4 Cc1cc(nc(c....
202 6NGP Ki = 33 nM KKY C21 H28 F N3 Cc1cc(nc(c....
203 6NGL Ki = 31 nM KMA C20 H26 F N3 Cc1cc(nc(c....
204 5VUT Ki = 0.019 uM 9OG C20 H20 N4 Cc1cc(nc2c....
205 2HX3 Ki = 0.12 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
206 3JX3 Ki = 180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
207 4UPN Ki = 0.0147 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
208 5ADI Ki = 0.507 uM TUE C17 H16 N4 O C=NCc1cc(c....
209 4KCN Ki = 0.011 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
210 1LZX - H4B C9 H15 N5 O3 C[C@@H]([C....
211 1MMW - H4B C9 H15 N5 O3 C[C@@H]([C....
212 6AV4 Ki = 100 nM W80 C21 H24 N4 Cc1cc(nc(c....
213 5VUY Ki = 0.274 uM P64 C20 H24 N4 CN(C)c1ccc....
214 4UH4 Ki = 24 nM Q1T C19 H25 N5 Cc1cc(nc(c....
215 4CX4 - HW9 C22 H32 N4 O Cc1ccnc(c1....
216 3JT6 Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
217 5UNY Ki = 0.05 uM M4R C22 H24 N4 O Cc1cc(nc2c....
218 6PNA Ki = 0.122 uM M16 C18 H19 N3 Cc1cc(nc2c....
219 3JX1 Ki = 290 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
220 3NLM Ki = 7.2 nM JRR C21 H29 F N4 O Cc1cc(nc(c....
221 4CAM Ki = 0.075 uM M87 C18 H18 F N3 c1cc(cc(c1....
222 1OM5 - H4B C9 H15 N5 O3 C[C@@H]([C....
223 4D31 Ki = 0.183 uM OLW C17 H16 N6 c1cc(cc(c1....
224 5AD8 Ki = 0.16 uM 9M9 C17 H17 N3 O c1cc(cc(c1....
225 6NGU Ki = 79 nM KMJ C19 H25 F2 N3 Cc1cc(nc(c....
226 5UNU Ki = 0.033 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
227 3UFT Ki = 0.117 uM HW7 C21 H27 Cl F N3 O2 Cc1cc(nc(c....
228 3N63 - XFN C22 H27 N5 Cc1cc(nc(c....
229 3TYL Ki = 0.41 uM AXW C20 H27 F N4 O Cc1cc(nc(c....
230 4EUX Ki = 0.038 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
231 1QWC - H4B C9 H15 N5 O3 C[C@@H]([C....
232 4IMT Ki = 0.11 uM 1EW C25 H33 N5 Cc1cc(nc(c....
233 6PN5 Ki = 0.052 uM OS7 C23 H22 N4 O Cc1cc(nc2c....
234 3JTA Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
235 3Q99 - H4B C9 H15 N5 O3 C[C@@H]([C....
236 6NG1 Ki = 58 nM KLY C18 H20 F N3 Cc1cc(nc(c....
237 3DQR Ki = 0.388 uM JI2 C12 H21 N5 c1cc(nc(c1....
238 5VV4 Ki = 0.02 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
239 3B3M Ki = 47.94 uM JI1 C13 H22 N4 O c1cc(nc(c1....
240 6PO9 Ki = 0.076 uM OS7 C23 H22 N4 O Cc1cc(nc2c....
241 5G0O Ki = 748 nM W64 C18 H25 N5 Cc1cc(nc(c....
242 6AUR Ki = 41 nM W68 C18 H24 F N3 Cc1cc(nc(c....
243 4K5F Ki = 232 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
244 5FVO - D8H C17 H24 N4 O Cc1cc(nc(c....
245 3JT7 Ki = 59 uM JM5 C10 H21 N3 O2 S [H]/N=C(/C....
246 6NGB Ki = 157 nM KMJ C19 H25 F2 N3 Cc1cc(nc(c....
247 5AD5 Ki = 0.332 uM M94 C19 H21 N3 O CNCCc1cccc....
248 6AUW Ki = 57 nM W80 C21 H24 N4 Cc1cc(nc(c....
249 4K5E Ki = 32 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
250 6AV2 - BY7 C20 H26 F3 N3 Cc1cc(nc(c....
251 4JSF Ki = 86 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
252 1M00 - BHH C5 H13 N3 O CCCCNC(=N)....
253 6NGX Ki = 27 nM KMV C18 H19 F2 N3 Cc1cc(nc(c....
254 3JWU Ki = 171 nM J11 C21 H30 F N5 Cc1cc(nc(c....
255 5FVQ Ki = 43 nM W64 C18 H25 N5 Cc1cc(nc(c....
256 3UFU Ki = 0.074 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
257 5VV1 Ki = 0.073 uM 9OS C19 H22 N4 O COc1ccncc1....
258 1ZVI - H4B C9 H15 N5 O3 C[C@@H]([C....
259 5VUV Ki = 0.768 uM M62 C16 H14 F N3 c1cc(cc(c1....
260 3NLN - H4B C9 H15 N5 O3 C[C@@H]([C....
261 1OM4 - H4B C9 H15 N5 O3 C[C@@H]([C....
262 3B3P Ki = 0.25 uM JI7 C20 H28 Cl N5 Cc1cc(nc(c....
263 3N5V - H4B C9 H15 N5 O3 C[C@@H]([C....
264 4CTW Ki = 24 nM S71 C22 H28 N6 Cc1cc(nc(c....
265 4CTP Ki = 144 nM 2IK C22 H27 N5 Cc1cc(nc(c....
266 6PNB Ki = 0.088 uM OSY C17 H17 N3 Cc1cc(nc2c....
267 4CTT Ki = 903 nM S7K C22 H26 N4 Cc1ccnc(c1....
268 4FVW - H4B C9 H15 N5 O3 C[C@@H]([C....
269 6AV5 Ki = 83 nM W82 C22 H24 F N3 Cc1cc(nc(c....
270 3HSO - H4B C9 H15 N5 O3 C[C@@H]([C....
271 6CIC - H4B C9 H15 N5 O3 C[C@@H]([C....
272 6NGS Ki = 19 nM KL1 C19 H25 F2 N3 Cc1cc(nc(c....
273 5ADB Kd = 0.058 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
274 4CTR Ki = 70 nM S20 C22 H26 N4 O Cc1cc(nc(c....
275 1LZZ - H4B C9 H15 N5 O3 C[C@@H]([C....
276 3TYN Ki = 0.39 uM CXW C20 H28 N4 O2 Cc1cc(nc(c....
277 4KCM Ki = 0.049 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
278 6NG4 Ki = 68 nM KMA C20 H26 F N3 Cc1cc(nc(c....
279 6NHB Ki = 55 nM KNS C23 H31 F2 N3 O CCO[C@@H]1....
280 3UFR Ki = 0.637 uM H5W C21 H26 F N3 O Cc1cc(nc(c....
281 4K5D Ki = 382 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
282 3B3N Ki = 388 nM JI2 C12 H21 N5 c1cc(nc(c1....
283 5AGN Ki = 1.5 uM 4JK C7 H15 N3 O3 [H]/N=C(CO....
284 4UH6 Ki = 55 nM Q1T C19 H25 N5 Cc1cc(nc(c....
285 5UNX Ki = 0.042 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
286 3JWT Ki = 5.3 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
287 3JX5 - H4B C9 H15 N5 O3 C[C@@H]([C....
288 3NNY Ki = 50 nM 59R C20 H27 F N4 O c1cc(cc(c1....
289 6PMV Ki = 0.105 uM M16 C18 H19 N3 Cc1cc(nc2c....
290 4CTV Ki = 123 nM 7S7 C22 H28 N6 Cc1cc(nc(c....
291 2G6K - H4B C9 H15 N5 O3 C[C@@H]([C....
292 1VAG - H4B C9 H15 N5 O3 C[C@@H]([C....
293 4UCH Ki = 0.138 uM OLW C17 H16 N6 c1cc(cc(c1....
294 3N5X Ki = 103 nM XFK C21 H25 N5 Cc1cc(nc(c....
295 5VV3 Ki = 0.032 uM P94 C19 H18 N4 c1cc(ccc1C....
296 5VUM Ki = 0.038 uM XH8 C18 H20 N4 c1cc(cnc1)....
297 6NGJ Ki = 32 nM KLY C18 H20 F N3 Cc1cc(nc(c....
298 6NGN Ki = 28 nM KL4 C20 H26 F N3 Cc1cc(nc(c....
299 6CID - F2J C18 H20 N4 S [H]/N=C(c1....
300 6AUS Ki = 252 nM BYV C19 H24 N4 Cc1cc(nc(c....
301 3NLK Ki = 116 nM JSS C21 H29 F N4 O Cc1cc(nc(c....
302 3N61 - H4B C9 H15 N5 O3 C[C@@H]([C....
303 5UO6 Ki = 0.065 uM M4R C22 H24 N4 O Cc1cc(nc2c....
304 4FVX Ki = 26 uM 2KJ C8 H18 N4 O3 [H]/N=C(NC....
305 1P6J Ki = 0.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
306 4JSG Ki = 60 nM Q10 C16 H21 N3 O2 Cc1cc(nc(c....
307 6PNC Ki = 0.06 uM OUG C17 H17 N3 Cc1cc(nc2c....
308 4GQE Ki = 7.4 mM 6KJ C10 H20 N4 O3 [H]/N=C(NO....
309 4IMU Ki = 0.053 uM 1ET C23 H29 N5 Cc1cc(nc(c....
310 3N65 - H4B C9 H15 N5 O3 C[C@@H]([C....
311 5VUI Ki = 0.575 uM M62 C16 H14 F N3 c1cc(cc(c1....
312 2G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
313 4D1N - H4B C9 H15 N5 O3 C[C@@H]([C....
314 6NHD Ki = 26 nM KNV C20 H25 F2 N3