Receptor
PDB id Resolution Class Description Source Keywords
9NSE 2.24 Å EC: 1.14.13.39 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOURE BOS TAURUS NITRIC OXIDE SYNTHASE HEME PROTEIN TETRAHYDROBIOPTERIN OXIDOREDUCTASE
Ref.: MAPPING THE ACTIVE SITE POLARITY IN STRUCTURES OF ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPL ISOTHIOUREAS. J.INORG.BIOCHEM. V. 81 133 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:850;
A:860;
B:851;
B:861;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CAD A:950;
B:950;
Invalid;
Invalid;
none;
none;
submit data
137.997 C2 H7 As O2 C[As]...
GOL A:880;
B:881;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
H4B A:600;
B:601;
Valid;
Valid;
none;
none;
submit data
241.247 C9 H15 N5 O3 C[C@@...
HEM A:500;
B:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
ISU A:800;
B:801;
B:811;
Valid;
Valid;
Valid;
none;
none;
none;
Ki = 0.039 uM
151.069 C3 H8 N2 Se [H]/N...
ZN A:900;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ED4 1.86 Å EC: 1.14.13.39 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEX IPITU (H4B FREE) BOS TAURUS NITRIC OXIDE SYNTHASE HEME PROTEIN ALPHA-BETA FOLD OXIDOR
Ref.: MAPPING THE ACTIVE SITE POLARITY IN STRUCTURES OF ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPL ISOTHIOUREAS. J.INORG.BIOCHEM. V. 81 133 2000
Members (150)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 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 6NH5 - KLD C21 H27 F2 N3 Cc1cc(nc(c....
54 6AV6 Ki = 39505 nM W68 C18 H24 F N3 Cc1cc(nc(c....
55 4KCS Ki = 21.7 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
56 4K5K Ki = 2542 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
57 4CWY Ki = 26.1 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
58 3NLG Ki = 36.19 uM JSR C21 H29 F N4 O Cc1cc(nc(c....
59 3NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
60 4UPQ Ki = 12.44 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
61 1D1Y - 3BT C12 H18 N4 S2 [H]/N=C(N)....
62 6NH6 - H4B C9 H15 N5 O3 C[C@@H]([C....
63 1DMK - AP6 C12 H14 N6 c1ccc(cc1)....
64 4D37 Ki = 4 uM 9HL C19 H20 F N5 c1cc(cc(c1....
65 6AV7 Ki = 83976 nM W69 C19 H26 F N3 Cc1cc(nc(c....
66 4UH7 Ki = 20240 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
67 3N5P Ki = 20000 nM XFM C21 H25 N5 Cc1cc(nc(c....
68 3NLD Ki = 26.2 uM JSS C21 H29 F N4 O Cc1cc(nc(c....
69 4CX2 - H2B C9 H13 N5 O3 C[C@@H]([C....
70 4CAR Ki = 0.485 uM M87 C18 H18 F N3 c1cc(cc(c1....
71 4JSL Ki = 2154 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
72 6NSE - GGB C5 H12 N4 O3 [H]/N=C(N)....
73 5VVB - 9P7 C20 H20 N4 Cc1cc(ccc1....
74 4K5H Ki = 26446 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
75 4C3A Ki = 6727 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
76 5UOB Ki = 16.1 uM M4R C22 H24 N4 O Cc1cc(nc2c....
77 1M9J Kd ~ 0.6 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
78 1FOL - ARG C6 H15 N4 O2 C(C[C@@H](....
79 1D0O - INE C7 H4 Br N3 O2 c1cc2c(c(c....
80 5VV6 Ki = 1.57 uM P64 C20 H24 N4 CN(C)c1ccc....
81 4JSM Ki = 10366 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
82 6NH2 - KMA C20 H26 F N3 Cc1cc(nc(c....
83 4UH8 Ki = 12910 nM EXI C17 H25 N5 Cc1cc(nc(c....
84 4CX1 - H2B C9 H13 N5 O3 C[C@@H]([C....
85 1P6L Ki = 107 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
86 1NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
87 4KCR Ki = 0.9 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
88 6NH3 - KL4 C20 H26 F N3 Cc1cc(nc(c....
89 5VVC - 9OJ C21 H22 N4 Cc1cc(ccc1....
90 1ED6 - ILO C7 H15 N3 O2 CC(=N)NCCC....
91 1RS8 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
92 3NLI - H4B C9 H15 N5 O3 C[C@@H]([C....
93 7NSE - DA2 C8 H18 N4 O2 [H]/N=C(/N....
94 1DM6 - PH3 C7 H8 Cl N3 O c1cc(ccc1N....
95 5UOA Ki = 5.63 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
96 5ADN - H4B C9 H15 N5 O3 C[C@@H]([C....
97 3N6F - H4B C9 H15 N5 O3 C[C@@H]([C....
98 4UH9 Ki = 30238 nM S85 C18 H25 F N4 Cc1cc(nc(c....
99 1DMJ - AP4 C8 H9 N5 O3 C1[C@@H]2C....
100 2NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
101 1D1X - H4B C9 H15 N5 O3 C[C@@H]([C....
102 4LUW Kd = 2.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
103 3NOS - HAR C6 H14 N4 O3 C(C[C@@H](....
104 3EAH ic50 = 0.04 uM 327 C10 H14 N2 O S [H]/N=C/1c....
105 6NHF - H4B C9 H15 N5 O3 C[C@@H]([C....
106 4D35 Ki = 4 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
107 6NH4 - KLA C20 H25 F2 N3 Cc1cc(nc(c....
108 1D0C - INE C7 H4 Br N3 O2 c1cc2c(c(c....
109 4CWV Ki = 148.9 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
110 4K5J Ki = 20196 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
111 1P6M Ki = 80 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
112 5UO8 Ki = 12.3 uM 8EV C19 H18 N4 O CNCc1cc(cc....
113 4CUL - ARG C6 H15 N4 O2 C(C[C@@H](....
114 4D3A Ki = 15.4 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
115 5UOD - 8EY C20 H20 N4 O Cc1cc(nc2c....
116 5VVG Ki = 0.115 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
117 1FOO - ARG C6 H15 N4 O2 C(C[C@@H](....
118 1M9Q - 5NI C7 H5 N3 O2 c1cc2c(cc1....
119 3PNH Ki = 19 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
120 4D1O - ARG C6 H15 N4 O2 C(C[C@@H](....
121 4D38 Ki = 10.32 uM L5Z C19 H20 F N5 c1cc(cc(c1....
122 5FJ3 Ki = 12.5 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
123 5VVN Ki = 0.581 uM P94 C19 H18 N4 c1cc(ccc1C....
124 1DM8 - H4B C9 H15 N5 O3 C[C@@H]([C....
125 5UOC Ki = 22.2 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
126 4D33 Ki = 40 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
127 2HX2 Ki = 73 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
128 1I83 - NTU C18 H38 N4 S2 CS/C(=NCCC....
129 1ED4 Ki = 0.022 uM IPU C4 H10 N2 S CC(C)SC(=N....
130 5VV7 Ki = 1.04 uM XH8 C18 H20 N4 c1cc(cnc1)....
131 4KCP Ki = 2.7 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
132 1RS9 - D7P C15 H25 N7 O4 c1ccc(cc1)....
133 4UPT Ki = 3.34 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
134 4CX0 - H4B C9 H15 N5 O3 C[C@@H]([C....
135 1M9M - 6NI C7 H5 N3 O2 c1cc2cn[nH....
136 3JWX Ki = 20300 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
137 4CTZ Ki = 328000 nM S7K C22 H26 N4 Cc1ccnc(c1....
138 5ADK - H4B C9 H15 N5 O3 C[C@@H]([C....
139 3N5S Ki = 16100 nM XFK C21 H25 N5 Cc1cc(nc(c....
140 1ZZT Ki = 1.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
141 3JWW Ki = 26400 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
142 4CTY Ki = 14390 nM S5D C22 H27 N5 Cc1cc(nc(c....
143 5ADJ - M94 C19 H21 N3 O CNCCc1cccc....
144 3N6G - H4B C9 H15 N5 O3 C[C@@H]([C....
145 3NLE Ki = 19.2 uM JRR C21 H29 F N4 O Cc1cc(nc(c....
146 8NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
147 6CIE - 7R2 C19 H26 N4 S [H]/N=C(c1....
148 1DMI - BHS C9 H15 N5 O3 C[C@H]([C@....
149 3NLH - H4B C9 H15 N5 O3 C[C@@H]([C....
150 4CWX Ki = 33.5 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
70% Homology Family (491)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 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 6NH5 - KLD C21 H27 F2 N3 Cc1cc(nc(c....
54 6AV6 Ki = 39505 nM W68 C18 H24 F N3 Cc1cc(nc(c....
55 4KCS Ki = 21.7 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
56 4K5K Ki = 2542 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
57 4CWY Ki = 26.1 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
58 3NLG Ki = 36.19 uM JSR C21 H29 F N4 O Cc1cc(nc(c....
59 3NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
60 4UPQ Ki = 12.44 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
61 1D1Y - 3BT C12 H18 N4 S2 [H]/N=C(N)....
62 6NH6 - H4B C9 H15 N5 O3 C[C@@H]([C....
63 1DMK - AP6 C12 H14 N6 c1ccc(cc1)....
64 4D37 Ki = 4 uM 9HL C19 H20 F N5 c1cc(cc(c1....
65 6AV7 Ki = 83976 nM W69 C19 H26 F N3 Cc1cc(nc(c....
66 4UH7 Ki = 20240 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
67 3N5P Ki = 20000 nM XFM C21 H25 N5 Cc1cc(nc(c....
68 3NLD Ki = 26.2 uM JSS C21 H29 F N4 O Cc1cc(nc(c....
69 4CX2 - H2B C9 H13 N5 O3 C[C@@H]([C....
70 4CAR Ki = 0.485 uM M87 C18 H18 F N3 c1cc(cc(c1....
71 4JSL Ki = 2154 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
72 6NSE - GGB C5 H12 N4 O3 [H]/N=C(N)....
73 5VVB - 9P7 C20 H20 N4 Cc1cc(ccc1....
74 4K5H Ki = 26446 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
75 4C3A Ki = 6727 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
76 5UOB Ki = 16.1 uM M4R C22 H24 N4 O Cc1cc(nc2c....
77 1M9J Kd ~ 0.6 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
78 1FOL - ARG C6 H15 N4 O2 C(C[C@@H](....
79 1D0O - INE C7 H4 Br N3 O2 c1cc2c(c(c....
80 5VV6 Ki = 1.57 uM P64 C20 H24 N4 CN(C)c1ccc....
81 4JSM Ki = 10366 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
82 6NH2 - KMA C20 H26 F N3 Cc1cc(nc(c....
83 4UH8 Ki = 12910 nM EXI C17 H25 N5 Cc1cc(nc(c....
84 4CX1 - H2B C9 H13 N5 O3 C[C@@H]([C....
85 1P6L Ki = 107 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
86 1NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
87 4KCR Ki = 0.9 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
88 6NH3 - KL4 C20 H26 F N3 Cc1cc(nc(c....
89 5VVC - 9OJ C21 H22 N4 Cc1cc(ccc1....
90 1ED6 - ILO C7 H15 N3 O2 CC(=N)NCCC....
91 1RS8 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
92 3NLI - H4B C9 H15 N5 O3 C[C@@H]([C....
93 7NSE - DA2 C8 H18 N4 O2 [H]/N=C(/N....
94 1DM6 - PH3 C7 H8 Cl N3 O c1cc(ccc1N....
95 5UOA Ki = 5.63 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
96 5ADN - H4B C9 H15 N5 O3 C[C@@H]([C....
97 3N6F - H4B C9 H15 N5 O3 C[C@@H]([C....
98 4UH9 Ki = 30238 nM S85 C18 H25 F N4 Cc1cc(nc(c....
99 1DMJ - AP4 C8 H9 N5 O3 C1[C@@H]2C....
100 2NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
101 1D1X - H4B C9 H15 N5 O3 C[C@@H]([C....
102 4LUW Kd = 2.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
103 3NOS - HAR C6 H14 N4 O3 C(C[C@@H](....
104 3EAH ic50 = 0.04 uM 327 C10 H14 N2 O S [H]/N=C/1c....
105 6NHF - H4B C9 H15 N5 O3 C[C@@H]([C....
106 4D35 Ki = 4 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
107 6NH4 - KLA C20 H25 F2 N3 Cc1cc(nc(c....
108 1D0C - INE C7 H4 Br N3 O2 c1cc2c(c(c....
109 4CWV Ki = 148.9 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
110 4K5J Ki = 20196 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
111 1P6M Ki = 80 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
112 5UO8 Ki = 12.3 uM 8EV C19 H18 N4 O CNCc1cc(cc....
113 4CUL - ARG C6 H15 N4 O2 C(C[C@@H](....
114 4D3A Ki = 15.4 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
115 5UOD - 8EY C20 H20 N4 O Cc1cc(nc2c....
116 5VVG Ki = 0.115 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
117 1FOO - ARG C6 H15 N4 O2 C(C[C@@H](....
118 1M9Q - 5NI C7 H5 N3 O2 c1cc2c(cc1....
119 3PNH Ki = 19 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
120 4D1O - ARG C6 H15 N4 O2 C(C[C@@H](....
121 4D38 Ki = 10.32 uM L5Z C19 H20 F N5 c1cc(cc(c1....
122 5FJ3 Ki = 12.5 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
123 5VVN Ki = 0.581 uM P94 C19 H18 N4 c1cc(ccc1C....
124 1DM8 - H4B C9 H15 N5 O3 C[C@@H]([C....
125 5UOC Ki = 22.2 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
126 4D33 Ki = 40 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
127 2HX2 Ki = 73 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
128 1I83 - NTU C18 H38 N4 S2 CS/C(=NCCC....
129 1ED4 Ki = 0.022 uM IPU C4 H10 N2 S CC(C)SC(=N....
130 5VV7 Ki = 1.04 uM XH8 C18 H20 N4 c1cc(cnc1)....
131 4KCP Ki = 2.7 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
132 1RS9 - D7P C15 H25 N7 O4 c1ccc(cc1)....
133 4UPT Ki = 3.34 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
134 4CX0 - H4B C9 H15 N5 O3 C[C@@H]([C....
135 1M9M - 6NI C7 H5 N3 O2 c1cc2cn[nH....
136 3JWX Ki = 20300 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
137 4CTZ Ki = 328000 nM S7K C22 H26 N4 Cc1ccnc(c1....
138 5ADK - H4B C9 H15 N5 O3 C[C@@H]([C....
139 3N5S Ki = 16100 nM XFK C21 H25 N5 Cc1cc(nc(c....
140 1ZZT Ki = 1.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
141 3JWW Ki = 26400 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
142 4CTY Ki = 14390 nM S5D C22 H27 N5 Cc1cc(nc(c....
143 5ADJ - M94 C19 H21 N3 O CNCCc1cccc....
144 3N6G - H4B C9 H15 N5 O3 C[C@@H]([C....
145 3NLE Ki = 19.2 uM JRR C21 H29 F N4 O Cc1cc(nc(c....
146 8NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
147 6CIE - 7R2 C19 H26 N4 S [H]/N=C(c1....
148 1DMI - BHS C9 H15 N5 O3 C[C@H]([C@....
149 3NLH - H4B C9 H15 N5 O3 C[C@@H]([C....
150 4CWX Ki = 33.5 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
151 1M8D Kd ~ 4.3 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
152 1DF1 - ITU C3 H8 N2 S CCSC(=N)N
153 2NOS - AGU C H6 N4 C(=N)(N)NN
154 1R35 ic50 = 6.09 uM I58 C8 H16 F N3 O2 [H]/N=C(/C....
155 2ORR - 333 C20 H14 N4 O4 c1cc(ccc1n....
156 1DD7 ic50 = 28 nM 1PM C23 H25 N7 O5 COC(=O)N1C....
157 3NQS - H4B NO n/a n/a
158 2ORO ic50 = 0.29 nM 228 C22 H24 N6 O3 Cc1cc(nc(n....
159 3EAI ic50 = 0.074 uM 328 C19 H20 N4 O2 COc1ccnc(c....
160 1N2N - H4B C9 H15 N5 O3 C[C@@H]([C....
161 1M9T - H4B C9 H15 N5 O3 C[C@@H]([C....
162 2ORP ic50 = 1.9 nM R86 C27 H35 N7 O3 Cc1cc(nc(n....
163 3EBF ic50 = 0.4 uM 332 C17 H19 N3 O2 S c1cc2c(cc1....
164 1QW4 - H4B C9 H15 N5 O3 C[C@@H]([C....
165 1JWK - HBI C9 H13 N5 O3 C[C@@H]([C....
166 2ORQ - MR1 C8 H9 N O2 c1cc2c(cc1....
167 3E6N ic50 = 0.015 uM AS3 C9 H14 N2 CCCc1cc(cc....
168 3E65 ic50 = 0.13 uM XXZ C20 H22 F N5 O c1cc2c(c(c....
169 3E6T ic50 = 1.2 uM 1A2 C21 H22 F2 N6 O CCN1c2c(cc....
170 3E7M - H4B C9 H15 N5 O3 C[C@@H]([C....
171 1DWW - HAR C6 H14 N4 O3 C(C[C@@H](....
172 3E68 ic50 = 0.12 uM AT6 C16 H16 N4 O Cc1cc(nc(c....
173 3E6L ic50 = 0.72 uM A11 C13 H18 Cl N3 O2 CCOC(=O)N1....
174 3EBD ic50 = 0.04 uM 329 C8 H10 N2 O S C[C@H]1CN=....
175 2ORT - 342 C22 H23 N3 O3 c1cc(ccc1n....
176 5UNZ Ki = 0.061 uM M4R C22 H24 N4 O Cc1cc(nc2c....
177 4UGZ Ki = 130 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
178 6AUV Ki = 47 nM W79 C21 H24 N4 Cc1cc(nc(c....
179 3NLP - H4B C9 H15 N5 O3 C[C@@H]([C....
180 4JSE Ki = 48 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
181 6AV1 Ki = 30 nM W69 C19 H26 F N3 Cc1cc(nc(c....
182 1ZZR Ki = 42 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
183 3NLW Ki = 2.7 uM 3XF C20 H33 F2 N5 O Cc1cc(nc(c....
184 4CTX Ki = 70 nM 71S C22 H28 N6 Cc1cc(nc(c....
185 4D7O Ki = 525 nM 0GD C21 H22 F N3 Cc1cc(nc(c....
186 4CAQ Ki = 0.066 uM M68 C19 H20 Cl N3 c1cc(cc(c1....
187 3N5Y Ki = 99 nM XFL C21 H25 N5 Cc1cc(nc(c....
188 5UNS Ki = 0.054 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
189 5FVW Ki = 13 nM W66 C17 H24 N4 Cc1cc(nc(c....
190 6NGP Ki = 33 nM KKY C21 H28 F N3 Cc1cc(nc(c....
191 6NGL Ki = 31 nM KMA C20 H26 F N3 Cc1cc(nc(c....
192 5VUT Ki = 0.019 uM 9OG C20 H20 N4 Cc1cc(nc2c....
193 2HX3 Ki = 0.12 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
194 3JX3 Ki = 180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
195 4UPN Ki = 0.0147 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
196 5ADI Ki = 0.507 uM TUE C17 H16 N4 O C=NCc1cc(c....
197 4KCN Ki = 0.011 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
198 1LZX - H4B C9 H15 N5 O3 C[C@@H]([C....
199 1MMW - H4B C9 H15 N5 O3 C[C@@H]([C....
200 6AV4 Ki = 100 nM W80 C21 H24 N4 Cc1cc(nc(c....
201 5VUY Ki = 0.274 uM P64 C20 H24 N4 CN(C)c1ccc....
202 4UH4 Ki = 24 nM Q1T C19 H25 N5 Cc1cc(nc(c....
203 4CX4 - HW9 C22 H32 N4 O Cc1ccnc(c1....
204 3JT6 Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
205 5UNY Ki = 0.05 uM M4R C22 H24 N4 O Cc1cc(nc2c....
206 3JX1 Ki = 290 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
207 3NLM Ki = 7.2 nM JRR C21 H29 F N4 O Cc1cc(nc(c....
208 4CAM Ki = 0.075 uM M87 C18 H18 F N3 c1cc(cc(c1....
209 1OM5 - H4B C9 H15 N5 O3 C[C@@H]([C....
210 4D31 Ki = 0.183 uM OLW C17 H16 N6 c1cc(cc(c1....
211 5AD8 Ki = 0.16 uM 9M9 C17 H17 N3 O c1cc(cc(c1....
212 6NGU Ki = 79 nM KMJ C19 H25 F2 N3 Cc1cc(nc(c....
213 5UNU Ki = 0.033 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
214 3UFT Ki = 0.117 uM HW7 C21 H27 Cl F N3 O2 Cc1cc(nc(c....
215 3N63 - XFN C22 H27 N5 Cc1cc(nc(c....
216 3TYL Ki = 0.41 uM AXW C20 H27 F N4 O Cc1cc(nc(c....
217 4EUX Ki = 0.038 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
218 1QWC - H4B C9 H15 N5 O3 C[C@@H]([C....
219 4IMT Ki = 0.11 uM 1EW C25 H33 N5 Cc1cc(nc(c....
220 3JTA Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
221 3Q99 - H4B C9 H15 N5 O3 C[C@@H]([C....
222 6NG1 Ki = 58 nM KLY C18 H20 F N3 Cc1cc(nc(c....
223 3DQR Ki = 0.388 uM JI2 C12 H21 N5 c1cc(nc(c1....
224 5VV4 Ki = 0.02 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
225 3B3M Ki = 47.94 uM JI1 C13 H22 N4 O c1cc(nc(c1....
226 5G0O Ki = 748 nM W64 C18 H25 N5 Cc1cc(nc(c....
227 6AUR Ki = 41 nM W68 C18 H24 F N3 Cc1cc(nc(c....
228 4K5F Ki = 232 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
229 5FVO - D8H C17 H24 N4 O Cc1cc(nc(c....
230 3JT7 Ki = 59 uM JM5 C10 H21 N3 O2 S [H]/N=C(/C....
231 6NGB Ki = 157 nM KMJ C19 H25 F2 N3 Cc1cc(nc(c....
232 5AD5 Ki = 0.332 uM M94 C19 H21 N3 O CNCCc1cccc....
233 6AUW Ki = 57 nM W80 C21 H24 N4 Cc1cc(nc(c....
234 4K5E Ki = 32 nM 1Q7 C17 H25 N5 O2 Cc1cc(nc(c....
235 6AV2 - BY7 C20 H26 F3 N3 Cc1cc(nc(c....
236 4JSF Ki = 86 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
237 1M00 - BHH C5 H13 N3 O CCCCNC(=N)....
238 6NGX Ki = 27 nM KMV C18 H19 F2 N3 Cc1cc(nc(c....
239 3JWU Ki = 171 nM J11 C21 H30 F N5 Cc1cc(nc(c....
240 5FVQ Ki = 43 nM W64 C18 H25 N5 Cc1cc(nc(c....
241 3UFU Ki = 0.074 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
242 5VV1 Ki = 0.073 uM 9OS C19 H22 N4 O COc1ccncc1....
243 1ZVI - H4B C9 H15 N5 O3 C[C@@H]([C....
244 5VUV Ki = 0.768 uM M62 C16 H14 F N3 c1cc(cc(c1....
245 3NLN - H4B C9 H15 N5 O3 C[C@@H]([C....
246 1OM4 - H4B C9 H15 N5 O3 C[C@@H]([C....
247 3B3P Ki = 0.25 uM JI7 C20 H28 Cl N5 Cc1cc(nc(c....
248 3N5V - H4B C9 H15 N5 O3 C[C@@H]([C....
249 4CTW Ki = 24 nM S71 C22 H28 N6 Cc1cc(nc(c....
250 4CTP Ki = 144 nM 2IK C22 H27 N5 Cc1cc(nc(c....
251 4CTT Ki = 903 nM S7K C22 H26 N4 Cc1ccnc(c1....
252 4FVW - H4B C9 H15 N5 O3 C[C@@H]([C....
253 6AV5 Ki = 83 nM W82 C22 H24 F N3 Cc1cc(nc(c....
254 3HSO - H4B C9 H15 N5 O3 C[C@@H]([C....
255 6CIC - H4B C9 H15 N5 O3 C[C@@H]([C....
256 6NGS Ki = 19 nM KL1 C19 H25 F2 N3 Cc1cc(nc(c....
257 5ADB Kd = 0.058 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
258 4CTR Ki = 70 nM S20 C22 H26 N4 O Cc1cc(nc(c....
259 1LZZ - H4B C9 H15 N5 O3 C[C@@H]([C....
260 3TYN Ki = 0.39 uM CXW C20 H28 N4 O2 Cc1cc(nc(c....
261 4KCM Ki = 0.049 uM 1QF C27 H29 N5 S2 [H]/N=C(c1....
262 6NG4 Ki = 68 nM KMA C20 H26 F N3 Cc1cc(nc(c....
263 6NHB Ki = 55 nM KNS C23 H31 F2 N3 O CCO[C@@H]1....
264 3UFR Ki = 0.637 uM H5W C21 H26 F N3 O Cc1cc(nc(c....
265 4K5D Ki = 382 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
266 3B3N Ki = 388 nM JI2 C12 H21 N5 c1cc(nc(c1....
267 5AGN Ki = 1.5 uM 4JK C7 H15 N3 O3 [H]/N=C(CO....
268 4UH6 Ki = 55 nM Q1T C19 H25 N5 Cc1cc(nc(c....
269 5UNX Ki = 0.042 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
270 3JWT Ki = 5.3 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
271 3JX5 - H4B C9 H15 N5 O3 C[C@@H]([C....
272 3NNY Ki = 50 nM 59R C20 H27 F N4 O c1cc(cc(c1....
273 4CTV Ki = 123 nM 7S7 C22 H28 N6 Cc1cc(nc(c....
274 2G6K - H4B C9 H15 N5 O3 C[C@@H]([C....
275 1VAG - H4B C9 H15 N5 O3 C[C@@H]([C....
276 4UCH Ki = 0.138 uM OLW C17 H16 N6 c1cc(cc(c1....
277 3N5X Ki = 103 nM XFK C21 H25 N5 Cc1cc(nc(c....
278 5VV3 Ki = 0.032 uM P94 C19 H18 N4 c1cc(ccc1C....
279 5VUM Ki = 0.038 uM XH8 C18 H20 N4 c1cc(cnc1)....
280 6NGJ Ki = 32 nM KLY C18 H20 F N3 Cc1cc(nc(c....
281 6NGN Ki = 28 nM KL4 C20 H26 F N3 Cc1cc(nc(c....
282 6CID - F2J C18 H20 N4 S [H]/N=C(c1....
283 6AUS Ki = 252 nM BYV C19 H24 N4 Cc1cc(nc(c....
284 3NLK Ki = 116 nM JSS C21 H29 F N4 O Cc1cc(nc(c....
285 3N61 - H4B C9 H15 N5 O3 C[C@@H]([C....
286 5UO6 Ki = 0.065 uM M4R C22 H24 N4 O Cc1cc(nc2c....
287 4FVX Ki = 26 uM 2KJ C8 H18 N4 O3 [H]/N=C(NC....
288 1P6J Ki = 0.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
289 4JSG Ki = 60 nM Q10 C16 H21 N3 O2 Cc1cc(nc(c....
290 4GQE Ki = 7.4 mM 6KJ C10 H20 N4 O3 [H]/N=C(NO....
291 4IMU Ki = 0.053 uM 1ET C23 H29 N5 Cc1cc(nc(c....
292 5VUI Ki = 0.575 uM M62 C16 H14 F N3 c1cc(cc(c1....
293 3N65 - H4B C9 H15 N5 O3 C[C@@H]([C....
294 2G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
295 4D1N - H4B C9 H15 N5 O3 C[C@@H]([C....
296 6NHD Ki = 26 nM KNV C20 H25 F2 N3 Cc1cc(nc(c....
297 6NGE Ki = 43 nM KMV C18 H19 F2 N3 Cc1cc(nc(c....
298 2G6L - HBI C9 H13 N5 O3 C[C@@H]([C....
299 6AUU Ki = 541 nM BY7 C20 H26 F3 N3 Cc1cc(nc(c....
300 3HSN - H4B C9 H15 N5 O3 C[C@@H]([C....
301 3NLR - H4B C9 H15 N5 O3 C[C@@H]([C....
302 3NLZ Ki = 0.085 uM 3XD C21 H28 F2 N4 O Cc1cc(nc(c....
303 5UO4 Ki = 0.061 uM 8F1 C21 H22 N4 O Cc1cc(nc2c....
304 5VUU Ki = 0.025 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
305 3N62 - H4B C9 H15 N5 O3 C[C@@H]([C....
306 5ADC Ki = 0.043 uM TUE C17 H16 N4 O C=NCc1cc(c....
307 6NG6 Ki = 59 nM KL4 C20 H26 F N3 Cc1cc(nc(c....
308 5VUZ Ki = 0.108 uM XH8 C18 H20 N4 c1cc(cnc1)....
309 4V3U Ki = 0.125 uM EG8 C17 H20 N6 c1cc(cnc1)....
310 4D32 Ki = 0.06 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
311 6NGV Ki = 47 nM KMM C19 H24 F3 N3 Cc1cc(nc(c....
312 5VUO Ki = 0.05 uM 9OS C19 H22 N4 O COc1ccncc1....
313 4KCO Ki = 0.073 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
314 4FVY - 3KJ C7 H16 N4 O3 [H]/N=C(/N....
315 5AD7 Ki = 0.569 uM M85 C18 H19 N3 O CNCc1cccc(....
316 5AGK Ki = 53 uM RGE C8 H17 N3 O3 S [H]/N=C(CS....
317 4KCK Ki = 0.005 uM H45 C25 H25 N5 S2 [H]/N=C(c1....
318 5UO5 Ki = 0.074 uM M4R C22 H24 N4 O Cc1cc(nc2c....
319 3UFS Ki = 0.23 uM HW6 C22 H29 Cl F N3 O Cc1cc(nc(c....
320 5VUX Ki = 0.764 uM 9P1 C19 H22 N4 CN(C)c1ccc....
321 6AUT Ki = 26 nM W69 C19 H26 F N3 Cc1cc(nc(c....
322 3JX6 Ki = 2180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
323 6NG2 Ki = 124 nM KM7 C19 H22 F N3 Cc1cc(nc(c....
324 4D2Y Ki = 0.018 uM L5Z C19 H20 F N5 c1cc(cc(c1....
325 1K2U - H4B C9 H15 N5 O3 C[C@@H]([C....
326 1ZZU Ki = 63.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
327 4JSH Ki = 117 nM Q15 C19 H25 N3 O2 Cc1cc(nc(c....
328 4IMW Ki = 0.056 uM 1EV C23 H25 N5 Cc1cc(nc(c....
329 3UFP Ki = 0.922 uM H4W C22 H30 F N3 O Cc1cc(nc(c....
330 5G0N Ki = 139.4 nM EXI C17 H25 N5 Cc1cc(nc(c....
331 2G6I - HBI C9 H13 N5 O3 C[C@@H]([C....
332 3N60 Ki = 85 nM XFN C22 H27 N5 Cc1cc(nc(c....
333 5VV5 Ki = 0.03 uM 9OJ C21 H22 N4 Cc1cc(ccc1....
334 6NGZ Ki = 13 nM KPJ C21 H27 F2 N3 Cc1cc(nc(c....
335 5VUK Ki = 0.522 uM 9P1 C19 H22 N4 CN(C)c1ccc....
336 6NHC Ki = 23 nM KNV C20 H25 F2 N3 Cc1cc(nc(c....
337 6NGC Ki = 58 nM KMM C19 H24 F3 N3 Cc1cc(nc(c....
338 5AD4 Ki = 0.468 uM 6M8 C20 H23 N3 O CN(C)CCc1c....
339 6NGQ Ki = 65 nM KLA C20 H25 F2 N3 Cc1cc(nc(c....
340 3PNF Ki = 0.17 uM 8BX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
341 3SVP Ki = 0.077 uM JK5 C21 H26 Cl F3 N4 O Cc1cc(nc(c....
342 6AUQ Ki = 48 nM BYJ C18 H25 N3 Cc1cc(nc(c....
343 5UO3 - 8EY C20 H20 N4 O Cc1cc(nc2c....
344 4CX3 - HW8 C21 H30 N4 O Cc1cc(nc(c....
345 5AGP Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
346 4JSI Ki = 40 nM Q05 C22 H24 F N3 O Cc1cc(nc(c....
347 5VUW Ki = 1.02 uM JHT C19 H22 N4 CN(C)c1ccc....
348 4FVZ Ki = 28 uM 4KJ C8 H16 N4 O3 [H]/N=C(/N....
349 3JWV Ki = 18.9 nM J14 C21 H30 F N5 Cc1cc(nc(c....
350 6AUZ Ki = 65 nM W68 C18 H24 F N3 Cc1cc(nc(c....
351 6NG5 Ki = 52 nM KMD C21 H28 F N3 Cc1cc(nc(c....
352 2HX4 Ki = 0.31 uM 4HX C11 H22 N8 O5 [H]/N=C(/N....
353 5ADF Ki = 0.657 uM 2SN C19 H22 N4 CN(C)Cc1cc....
354 5VV0 Ki = 0.13 uM 9OM C19 H22 N4 Cc1ccncc1C....
355 4D3B Ki = 0.368 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
356 3HSP - H4B C9 H15 N5 O3 C[C@@H]([C....
357 6NGT Ki = 60 nM KL7 C19 H25 F2 N3 Cc1cc(nc(c....
358 5FVT Ki = 25 nM W67 C18 H26 N4 Cc1cc(nc(c....
359 4V3X Ki = 0.138 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
360 5AGL Ki = 58.3 uM CCW C8 H17 N3 O4 S CS(=O)(=O)....
361 4D30 Ki = 0.054 uM EG8 C17 H20 N6 c1cc(cnc1)....
362 4CTU Ki = 53 nM S42 C23 H29 N5 Cc1cc(nc(c....
363 5UO0 Ki = 0.05 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
364 3N2R Ki = 3 uM XJH C22 H23 N3 O2 c1ccc(cc1)....
365 3NLX Ki = 0.036 uM 3XB C21 H27 F3 N4 O Cc1cc(nc(c....
366 4CAP Ki = 0.06 uM ML6 C19 H20 F N3 c1cc(cc(c1....
367 5FVU Ki = 84 nM W64 C18 H25 N5 Cc1cc(nc(c....
368 6NH0 Ki = 62 nM KND C21 H27 F2 N3 O Cc1cc(nc(c....
369 3NLJ - H4B C9 H15 N5 O3 C[C@@H]([C....
370 5AGM Ki = 22.9 uM WT2 C7 H13 N3 O3 C(C[C@@H](....
371 4KCJ Ki = 0.13 uM H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
372 5FVX Ki = 37 nM W67 C18 H26 N4 Cc1cc(nc(c....
373 4UPO Ki = 0.0281 uM 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
374 1K2T - H4B C9 H15 N5 O3 C[C@@H]([C....
375 5VUN Ki = 0.09 uM 9OM C19 H22 N4 Cc1ccncc1C....
376 3JT4 Ki = 33 uM JM8 C10 H21 N3 O2 S [H]/N=C(CC....
377 6NGK Ki = 58 nM KM7 C19 H22 F N3 Cc1cc(nc(c....
378 6NGY Ki = 27 nM KN4 C21 H27 F2 N3 Cc1cc(nc(c....
379 5ADD - M85 C18 H19 N3 O CNCc1cccc(....
380 4V3W Ki = 0.183 uM E2Z C17 H18 F N5 c1cc(cc(c1....
381 3NLQ - H4B C9 H15 N5 O3 C[C@@H]([C....
382 5VUS Ki = 0.031 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
383 4UH5 Ki = 59 nM EXI C17 H25 N5 Cc1cc(nc(c....
384 3JWS Ki = 52.2 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
385 3UFV Ki = 0.031 uM HW9 C22 H32 N4 O Cc1ccnc(c1....
386 5UNV Ki = 0.033 uM 8J7 C20 H23 N3 Cc1cc(nc2c....
387 3NNZ Ki = 220 nM 59W C20 H27 F N4 O c1cc(cc(c1....
388 3JX4 - H4B C9 H15 N5 O3 C[C@@H]([C....
389 3N64 - XFN C22 H27 N5 Cc1cc(nc(c....
390 6NG8 Ki = 29 nM KL1 C19 H25 F2 N3 Cc1cc(nc(c....
391 5VUJ Ki = 0.421 uM JHT C19 H22 N4 CN(C)c1ccc....
392 3JT3 Ki = 0.9 uM JM2 C8 H17 N3 O2 S [H]/N=C(CS....
393 5ADE - XEB C18 H18 Cl N3 O CNCc1cc(cc....
394 2G6J - 7AP C9 H12 N6 O2 C[C@@H]([C....
395 3UFQ Ki = 15.402 uM HW5 C22 H28 F N3 O Cc1cc(nc(c....
396 3TYM Ki = 0.82 uM 08R C21 H30 N4 O2 Cc1cc(nc(c....
397 4JSJ Ki = 140 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
398 4UH1 Ki = 17 nM EXI C17 H25 N5 Cc1cc(nc(c....
399 6NGF Ki = 37 nM KN4 C21 H27 F2 N3 Cc1cc(nc(c....
400 5AD9 Ki = 0.283 uM 8VJ C19 H21 N3 O CN(C)Cc1cc....
401 3SVQ Ki = 0.18 uM JK4 C21 H26 F4 N4 O Cc1cc(nc(c....
402 1P6I Ki = 0.15 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
403 3Q9A - H4B C9 H15 N5 O3 C[C@@H]([C....
404 4CAO Ki = 0.164 uM M46 C20 H22 F N3 c1cc(cc(c1....
405 4V3Y Ki = 0.032 uM HLW C18 H20 Cl N5 c1cc(cc(c1....
406 5VUR Ki = 0.021 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
407 5G0P Ki = 108 nM W67 C18 H26 N4 Cc1cc(nc(c....
408 5UO2 Ki = 0.125 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
409 2G6N - HBI C9 H13 N5 O3 C[C@@H]([C....
410 5ADG Ki = 0.295 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
411 4UPP Ki = 0.0282 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
412 4LUX Kd = 0.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
413 4CX5 - HW8 C21 H30 N4 O Cc1cc(nc(c....
414 4V3V Ki = 0.138 uM S8F C17 H18 F N5 c1cc(cc(c1....
415 6AUX Ki = 44 nM W82 C22 H24 F N3 Cc1cc(nc(c....
416 4K5G Ki = 37 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
417 3NLY Ki = 0.16 uM 3XC C21 H27 F3 N4 O Cc1cc(nc(c....
418 6NHE Ki = 55 nM KNS C23 H31 F2 N3 O CCO[C@@H]1....
419 5FVP Ki = 547 nM WOS C17 H22 N4 O Cc1cc(nc(c....
420 3JT5 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
421 5AGO Ki = 0.42 uM VUR C7 H15 N3 O2 S [H]/N=C(CS....
422 5VUP Ki = 0.216 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
423 5FW0 Ki = 1768 nM W30 C17 H24 N4 O Cc1cc(nc(c....
424 4KCI Ki = 0.739 uM 1QE C24 H22 N4 S2 [H]/N=C(Nc....
425 4UPM Ki = 0.059 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
426 6NGA Ki = 36 nM KL7 C19 H25 F2 N3 Cc1cc(nc(c....
427 6NGW Ki = 45 nM KMS C19 H24 F3 N3 Cc1cc(nc(c....
428 3PNE Ki = 0.086 uM 8AX C21 H27 Cl F2 N4 O Cc1cc(nc(c....
429 5UNW Ki = 0.036 uM 8F7 C21 H22 N4 Cc1cc(nc2c....
430 4V3Z Ki = 0.056 uM 9HL C19 H20 F N5 c1cc(cc(c1....
431 5FVR Ki = 72 nM H65 C19 H26 N4 Cc1cc(nc(c....
432 4CDT Ki = 0.049 uM M48 C19 H20 F N3 c1cc(cc(c1....
433 4FW0 Ki > 10 mM 5KJ C7 H16 N4 O3 [H]/N=C(NO....
434 4UH2 Ki = 67 nM S84 C19 H25 F3 N4 Cc1cc(nc(c....
435 6NG7 Ki = 204 nM KLD C21 H27 F2 N3 Cc1cc(nc(c....
436 5UO7 Ki = 0.046 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
437 3JT8 - H4B C9 H15 N5 O3 C[C@@H]([C....
438 1ZVL - H4B C9 H15 N5 O3 C[C@@H]([C....
439 4CTQ Ki = 122 nM S5D C22 H27 N5 Cc1cc(nc(c....
440 4IMS Ki = 0.54 uM 12S C25 H33 N5 Cc1cc(nc(c....
441 3TYO Ki = 0.4 uM DXW C18 H26 N4 O2 Cc1cc(nc(c....
442 1RS7 - D7P C15 H25 N7 O4 c1ccc(cc1)....
443 4KCL Ki = 0.005 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
444 3NLO - H4B C9 H15 N5 O3 C[C@@H]([C....
445 4UH0 Ki = 35 nM SKO C17 H25 N5 Cc1cc(nc(c....
446 3UFO Ki = 9.057 uM HW4 C22 H30 F N3 O Cc1cc(nc(c....
447 6NGR Ki = 128 nM KLD C21 H27 F2 N3 Cc1cc(nc(c....
448 4D2Z Ki = 0.15 uM K9L C19 H20 F N5 c1cc(cc(c1....
449 5UNR Ki = 0.035 uM 8EV C19 H18 N4 O CNCc1cc(cc....
450 5ADA Ki = 0.375 uM 2SN C19 H22 N4 CN(C)Cc1cc....
451 1P6K Ki = 67 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
452 5FVV Ki = 89 nM H65 C19 H26 N4 Cc1cc(nc(c....
453 6NGD Ki = 46 nM KMS C19 H24 F3 N3 Cc1cc(nc(c....
454 6AV0 Ki = 516 nM BYV C19 H24 N4 Cc1cc(nc(c....
455 3JX2 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
456 3UFW Ki = 0.03 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
457 5VV2 Ki = 0.164 uM 9P4 C18 H19 F N4 c1cc(cc2c1....
458 5UO1 Ki = 0.036 uM 8EV C19 H18 N4 O CNCc1cc(cc....
459 3N5W Ki = 25 nM XFJ C21 H25 N5 Cc1cc(nc(c....
460 3PNG Ki = 0.026 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
461 3B3O Ki = 0.085 uM JI3 C20 H28 Cl N5 Cc1cc(nc(c....
462 4C39 Ki = 9.7 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
463 5VUL Ki = 0.036 uM P64 C20 H24 N4 CN(C)c1ccc....
464 1K2R - H4B C9 H15 N5 O3 C[C@@H]([C....
465 1QW6 - H4B C9 H15 N5 O3 C[C@@H]([C....
466 3JT9 Ki = 8.6 uM JM7 C9 H19 N3 O2 S [H]/N=C(CS....
467 3JX0 Ki = 1190 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
468 5AD6 Ki = 0.179 uM 7M3 C19 H21 N3 O CN(C)Cc1cc....
469 1MMV - H4B C9 H15 N5 O3 C[C@@H]([C....
470 4UH3 Ki = 34 nM S85 C18 H25 F N4 Cc1cc(nc(c....
471 6NGI Ki = 89 nM KND C21 H27 F2 N3 O Cc1cc(nc(c....
472 1ZZQ Ki = 20 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
473 6AV3 Ki = 82 nM W79 C21 H24 N4 Cc1cc(nc(c....
474 6NGM Ki = 26 nM KMD C21 H28 F N3 Cc1cc(nc(c....
475 1P6H Ki = 0.3 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
476 6AUY Ki = 55 nM BYJ C18 H25 N3 Cc1cc(nc(c....
477 5FVS Ki = 16 nM W66 C17 H24 N4 Cc1cc(nc(c....
478 3NM0 Ki = 0.17 uM 3XE C21 H32 F2 N4 O C[C@H]1C[C....
479 3N66 - XFN C22 H27 N5 Cc1cc(nc(c....
480 6NGH Ki = 21 nM KPJ C21 H27 F2 N3 Cc1cc(nc(c....
481 5VUQ Ki = 0.037 uM P94 C19 H18 N4 c1cc(ccc1C....
482 2G6M - H4B C9 H15 N5 O3 C[C@@H]([C....
483 3NLV Ki = 0.39 uM 3XA C21 H27 F3 N4 O Cc1cc(nc(c....
484 3N5Z Ki = 195 nM XFM C21 H25 N5 Cc1cc(nc(c....
485 1RS6 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
486 4CAN Ki = 0.254 uM M7K C18 H18 F N3 c1cc(cc(c1....
487 4CX6 - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
488 4KCH Ki = 0.787 uM H38 C22 H18 N4 S2 [H]/N=C(Nc....
489 5UNT Ki = 0.039 uM 8J1 C19 H21 N3 O Cc1cc(nc2c....
490 4NOS Ki = 19 nM ITU C3 H8 N2 S CCSC(=N)N
491 3E7G ic50 = 0.35 uM AT2 C14 H21 N3 O2 CCOC(=O)N1....
50% Homology Family (491)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 6NH5 - KLD C21 H27 F2 N3 Cc1cc(nc(c....
54 6AV6 Ki = 39505 nM W68 C18 H24 F N3 Cc1cc(nc(c....
55 4KCS Ki = 21.7 uM 5H4 C22 H24 F N3 S [H]/N=C(c1....
56 4K5K Ki = 2542 nM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
57 4CWY Ki = 26.1 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
58 3NLG Ki = 36.19 uM JSR C21 H29 F N4 O Cc1cc(nc(c....
59 3NSE - ARG C6 H15 N4 O2 C(C[C@@H](....
60 4UPQ Ki = 12.44 uM I5U C27 H29 N5 O2 S2 [H]/N=C(c1....
61 1D1Y - 3BT C12 H18 N4 S2 [H]/N=C(N)....
62 6NH6 - H4B C9 H15 N5 O3 C[C@@H]([C....
63 1DMK - AP6 C12 H14 N6 c1ccc(cc1)....
64 4D37 Ki = 4 uM 9HL C19 H20 F N5 c1cc(cc(c1....
65 6AV7 Ki = 83976 nM W69 C19 H26 F N3 Cc1cc(nc(c....
66 4UH7 Ki = 20240 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
67 3N5P Ki = 20000 nM XFM C21 H25 N5 Cc1cc(nc(c....
68 3NLD Ki = 26.2 uM JSS C21 H29 F N4 O Cc1cc(nc(c....
69 4CX2 - H2B C9 H13 N5 O3 C[C@@H]([C....
70 4CAR Ki = 0.485 uM M87 C18 H18 F N3 c1cc(cc(c1....
71 4JSL Ki = 2154 nM QJ4 C19 H28 N4 Cc1cc(nc(c....
72 6NSE - GGB C5 H12 N4 O3 [H]/N=C(N)....
73 5VVB - 9P7 C20 H20 N4 Cc1cc(ccc1....
74 4K5H Ki = 26446 nM 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
75 4C3A Ki = 6727 nM Q16 C19 H27 N5 O2 Cc1cc(nc(c....
76 5UOB Ki = 16.1 uM M4R C22 H24 N4 O Cc1cc(nc2c....
77 1M9J Kd ~ 0.6 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
78 1FOL - ARG C6 H15 N4 O2 C(C[C@@H](....
79 1D0O - INE C7 H4 Br N3 O2 c1cc2c(c(c....
80 5VV6 Ki = 1.57 uM P64 C20 H24 N4 CN(C)c1ccc....
81 4JSM Ki = 10366 nM QJ7 C21 H23 F N4 O Cc1cc(nc(c....
82 6NH2 - KMA C20 H26 F N3 Cc1cc(nc(c....
83 4UH8 Ki = 12910 nM EXI C17 H25 N5 Cc1cc(nc(c....
84 4CX1 - H2B C9 H13 N5 O3 C[C@@H]([C....
85 1P6L Ki = 107 uM DP1 C10 H22 N8 O4 C(C[C@@H](....
86 1NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
87 4KCR Ki = 0.9 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
88 6NH3 - KL4 C20 H26 F N3 Cc1cc(nc(c....
89 5VVC - 9OJ C21 H22 N4 Cc1cc(ccc1....
90 1ED6 - ILO C7 H15 N3 O2 CC(=N)NCCC....
91 1RS8 - DP2 C12 H28 N8 O4 C(CCN)C[C@....
92 3NLI - H4B C9 H15 N5 O3 C[C@@H]([C....
93 7NSE - DA2 C8 H18 N4 O2 [H]/N=C(/N....
94 1DM6 - PH3 C7 H8 Cl N3 O c1cc(ccc1N....
95 5UOA Ki = 5.63 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
96 5ADN - H4B C9 H15 N5 O3 C[C@@H]([C....
97 3N6F - H4B C9 H15 N5 O3 C[C@@H]([C....
98 4UH9 Ki = 30238 nM S85 C18 H25 F N4 Cc1cc(nc(c....
99 1DMJ - AP4 C8 H9 N5 O3 C1[C@@H]2C....
100 2NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
101 1D1X - H4B C9 H15 N5 O3 C[C@@H]([C....
102 4LUW Kd = 2.1 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
103 3NOS - HAR C6 H14 N4 O3 C(C[C@@H](....
104 3EAH ic50 = 0.04 uM 327 C10 H14 N2 O S [H]/N=C/1c....
105 6NHF - H4B C9 H15 N5 O3 C[C@@H]([C....
106 4D35 Ki = 4 uM 4E8 C18 H20 F N5 c1cc(cc(c1....
107 6NH4 - KLA C20 H25 F2 N3 Cc1cc(nc(c....
108 1D0C - INE C7 H4 Br N3 O2 c1cc2c(c(c....
109 4CWV Ki = 148.9 uM HW8 C21 H30 N4 O Cc1cc(nc(c....
110 4K5J Ki = 20196 nM Q14 C18 H27 N5 O2 Cc1cc(nc(c....
111 1P6M Ki = 80 uM DP3 C8 H21 N7 O2 C(C[C@@H](....
112 5UO8 Ki = 12.3 uM 8EV C19 H18 N4 O CNCc1cc(cc....
113 4CUL - ARG C6 H15 N4 O2 C(C[C@@H](....
114 4D3A Ki = 15.4 uM 7F5 C19 H22 F N5 Cc1cncn1c2....
115 5UOD - 8EY C20 H20 N4 O Cc1cc(nc2c....
116 5VVG Ki = 0.115 uM 9PM C19 H17 Cl N4 c1cc(cc2c1....
117 1FOO - ARG C6 H15 N4 O2 C(C[C@@H](....
118 1M9Q - 5NI C7 H5 N3 O2 c1cc2c(cc1....
119 3PNH Ki = 19 uM 8CX C21 H28 F2 N4 O Cc1cc(nc(c....
120 4D1O - ARG C6 H15 N4 O2 C(C[C@@H](....
121 4D38 Ki = 10.32 uM L5Z C19 H20 F N5 c1cc(cc(c1....
122 5FJ3 Ki = 12.5 uM XEB C18 H18 Cl N3 O CNCc1cc(cc....
123 5VVN Ki = 0.581 uM P94 C19 H18 N4 c1cc(ccc1C....
124 1DM8 - H4B C9 H15 N5 O3 C[C@@H]([C....
125 5UOC Ki = 22.2 uM 8FD C22 H24 N4 O Cc1cc(nc2c....
126 4D33 Ki = 40 uM 6J0 C17 H19 F N6 c1cc(cc(c1....
127 2HX2 Ki = 73 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
128 1I83 - NTU C18 H38 N4 S2 CS/C(=NCCC....
129 1ED4 Ki = 0.022 uM IPU C4 H10 N2 S CC(C)SC(=N....
130 5VV7 Ki = 1.04 uM XH8 C18 H20 N4 c1cc(cnc1)....
131 4KCP Ki = 2.7 uM H44 C25 H25 N5 S2 [H]/N=C(/c....
132 1RS9 - D7P C15 H25 N7 O4 c1ccc(cc1)....
133 4UPT Ki = 3.34 uM PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
134 4CX0 - H4B C9 H15 N5 O3 C[C@@H]([C....
135 1M9M - 6NI C7 H5 N3 O2 c1cc2cn[nH....
136 3JWX Ki = 20300 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
137 4CTZ Ki = 328000 nM S7K C22 H26 N4 Cc1ccnc(c1....
138 5ADK - H4B C9 H15 N5 O3 C[C@@H]([C....
139 3N5S Ki = 16100 nM XFK C21 H25 N5 Cc1cc(nc(c....
140 1ZZT Ki = 1.1 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
141 3JWW Ki = 26400 nM JI4 C21 H30 F N5 Cc1cc(nc(c....
142 4CTY Ki = 14390 nM S5D C22 H27 N5 Cc1cc(nc(c....
143 5ADJ - M94 C19 H21 N3 O CNCCc1cccc....
144 3N6G - H4B C9 H15 N5 O3 C[C@@H]([C....
145 3NLE Ki = 19.2 uM JRR C21 H29 F N4 O Cc1cc(nc(c....
146 8NSE - H4B C9 H15 N5 O3 C[C@@H]([C....
147 6CIE - 7R2 C19 H26 N4 S [H]/N=C(c1....
148 1DMI - BHS C9 H15 N5 O3 C[C@H]([C@....
149 3NLH - H4B C9 H15 N5 O3 C[C@@H]([C....
150 4CWX Ki = 33.5 uM HW0 C21 H31 N5 O Cc1cc(nc(c....
151 1M8D Kd ~ 4.3 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
152 1DF1 - ITU C3 H8 N2 S CCSC(=N)N
153 2NOS - AGU C H6 N4 C(=N)(N)NN
154 1R35 ic50 = 6.09 uM I58 C8 H16 F N3 O2 [H]/N=C(/C....
155 2ORR - 333 C20 H14 N4 O4 c1cc(ccc1n....
156 1DD7 ic50 = 28 nM 1PM C23 H25 N7 O5 COC(=O)N1C....
157 3NQS - H4B NO n/a n/a
158 2ORO ic50 = 0.29 nM 228 C22 H24 N6 O3 Cc1cc(nc(n....
159 3EAI ic50 = 0.074 uM 328 C19 H20 N4 O2 COc1ccnc(c....
160 1N2N - H4B C9 H15 N5 O3 C[C@@H]([C....
161 1M9T - H4B C9 H15 N5 O3 C[C@@H]([C....
162 2ORP ic50 = 1.9 nM R86 C27 H35 N7 O3 Cc1cc(nc(n....
163 3EBF ic50 = 0.4 uM 332 C17 H19 N3 O2 S c1cc2c(cc1....
164 1QW4 - H4B C9 H15 N5 O3 C[C@@H]([C....
165 1JWK - HBI C9 H13 N5 O3 C[C@@H]([C....
166 2ORQ - MR1 C8 H9 N O2 c1cc2c(cc1....
167 3E6N ic50 = 0.015 uM AS3 C9 H14 N2 CCCc1cc(cc....
168 3E65 ic50 = 0.13 uM XXZ C20 H22 F N5 O c1cc2c(c(c....
169 3E6T ic50 = 1.2 uM 1A2 C21 H22 F2 N6 O CCN1c2c(cc....
170 3E7M - H4B C9 H15 N5 O3 C[C@@H]([C....
171 1DWW - HAR C6 H14 N4 O3 C(C[C@@H](....
172 3E68 ic50 = 0.12 uM AT6 C16 H16 N4 O Cc1cc(nc(c....
173 3E6L ic50 = 0.72 uM A11 C13 H18 Cl N3 O2 CCOC(=O)N1....
174 3EBD ic50 = 0.04 uM 329 C8 H10 N2 O S C[C@H]1CN=....
175 2ORT - 342 C22 H23 N3 O3 c1cc(ccc1n....
176 5UNZ Ki = 0.061 uM M4R C22 H24 N4 O Cc1cc(nc2c....
177 4UGZ Ki = 130 nM 4V4 C18 H26 N4 Cc1cc(nc(c....
178 6AUV Ki = 47 nM W79 C21 H24 N4 Cc1cc(nc(c....
179 3NLP - H4B C9 H15 N5 O3 C[C@@H]([C....
180 4JSE Ki = 48 nM QJ2 C17 H24 N4 Cc1cc(nc(c....
181 6AV1 Ki = 30 nM W69 C19 H26 F N3 Cc1cc(nc(c....
182 1ZZR Ki = 42 uM DP9 C11 H22 N8 O4 C1[C@H](CN....
183 3NLW Ki = 2.7 uM 3XF C20 H33 F2 N5 O Cc1cc(nc(c....
184 4CTX Ki = 70 nM 71S C22 H28 N6 Cc1cc(nc(c....
185 4D7O Ki = 525 nM 0GD C21 H22 F N3 Cc1cc(nc(c....
186 4CAQ Ki = 0.066 uM M68 C19 H20 Cl N3 c1cc(cc(c1....
187 3N5Y Ki = 99 nM XFL C21 H25 N5 Cc1cc(nc(c....
188 5UNS Ki = 0.054 uM 8J4 C20 H23 N3 O CCc1cc(cc(....
189 5FVW Ki = 13 nM W66 C17 H24 N4 Cc1cc(nc(c....
190 6NGP Ki = 33 nM KKY C21 H28 F N3 Cc1cc(nc(c....
191 6NGL Ki = 31 nM KMA C20 H26 F N3 Cc1cc(nc(c....
192 5VUT Ki = 0.019 uM 9OG C20 H20 N4 Cc1cc(nc2c....
193 2HX3 Ki = 0.12 uM 3HX C8 H21 N7 O3 [H]/N=C(/N....
194 3JX3 Ki = 180 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
195 4UPN Ki = 0.0147 uM 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
196 5ADI Ki = 0.507 uM TUE C17 H16 N4 O C=NCc1cc(c....
197 4KCN Ki = 0.011 uM 5H3 C20 H20 F N3 S [H]/N=C(c1....
198 1LZX - H4B C9 H15 N5 O3 C[C@@H]([C....
199 1MMW - H4B C9 H15 N5 O3 C[C@@H]([C....
200 6AV4 Ki = 100 nM W80 C21 H24 N4 Cc1cc(nc(c....
201 5VUY Ki = 0.274 uM P64 C20 H24 N4 CN(C)c1ccc....
202 4UH4 Ki = 24 nM Q1T C19 H25 N5 Cc1cc(nc(c....
203 4CX4 - HW9 C22 H32 N4 O Cc1ccnc(c1....
204 3JT6 Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
205 5UNY Ki = 0.05 uM M4R C22 H24 N4 O Cc1cc(nc2c....
206 3JX1 Ki = 290 nM JI5 C21 H30 F N5 Cc1cc(nc(c....
207 3NLM Ki = 7.2 nM JRR C21 H29 F N4 O Cc1cc(nc(c....
208 4CAM Ki = 0.075 uM M87 C18 H18 F N3 c1cc(cc(c1....
209 1OM5 - H4B C9 H15 N5 O3 C[C@@H]([C....
210 4D31 Ki = 0.183 uM OLW C17 H16 N6 c1cc(cc(c1....
211 5AD8 Ki = 0.16 uM 9M9 C17 H17 N3 O c1cc(cc(c1....
212 6NGU Ki = 79 nM KMJ C19 H25 F2 N3 Cc1cc(nc(c....
213 5UNU Ki = 0.033 uM 8EY C20 H20 N4 O Cc1cc(nc2c....
214 3UFT Ki = 0.117 uM HW7 C21 H27 Cl F N3 O2 Cc1cc(nc(c....
215 3N63 - XFN C22 H27 N5 Cc1cc(nc(c....
216 3TYL Ki = 0.41 uM AXW C20 H27 F N4 O Cc1cc(nc(c....
217 4EUX Ki = 0.038 uM HW1 C22 H33 N5 O Cc1cc(nc(c....
218 1QWC - H4B C9 H15 N5 O3 C[C@@H]([C....
219 4IMT Ki = 0.11 uM 1EW C25 H33 N5 Cc1cc(nc(c....
220 3JTA Ki = 32 uM JM6 C10 H21 N3 O2 S [H]/N=C(/C....
221 3Q99 - H4B C9 H15 N5 O3 C[C@@H]([C....
222 6NG1 Ki = 58 nM KLY C18 H20 F N3 Cc1cc(nc(c....
223 3DQR Ki = 0.388 uM JI2 C12 H21 N5 c1cc(nc(c1....
224 5VV4 Ki = 0.02 uM 9P7 C20 H20 N4 Cc1cc(ccc1....
225 3B3M Ki = 47.94 uM JI1 C13 H22 N4 O c1cc(nc(c1....
226 5G0O Ki = 748 nM W64 C18 H25 N5 Cc1cc(nc(c....
227 6AUR Ki = 41 nM W68 C18 H24 F N3 Cc1cc(nc(c....
228 4K5F Ki = 232 nM Q14 C18 H27 N5 O2