Receptor
PDB id Resolution Class Description Source Keywords
4BKJ 1.7 Å EC: 2.7.10.1 CRYSTAL STRUCTURE OF THE HUMAN DDR1 KINASE DOMAIN IN COMPLEX WITH IMATINIB HOMO SAPIENS TRANSFERASE RECEPTOR RTK COLLAGEN DISCOIDIN DOMAIN RECETYROSINE KINASE
Ref.: STRUCTURAL MECHANISMS DETERMINING INHIBITION OF THE COLLAGEN RECEPTOR DDR1 BY SELECTIVE AND MULTI-TARGE II KINASE INHIBITORS J.MOL.BIOL. V. 426 2457 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STI A:1000;
B:1000;
Valid;
Valid;
none;
none;
ic50 = 41 nM
493.603 C29 H31 N7 O Cc1cc...
EDO A:1006;
B:1002;
A:1003;
A:1002;
A:1010;
A:1007;
B:1006;
B:1008;
B:1004;
A:1008;
A:1004;
B:1005;
B:1009;
B:1007;
B:1003;
B:1001;
A:1001;
A:1009;
A:1005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BKJ 1.7 Å EC: 2.7.10.1 CRYSTAL STRUCTURE OF THE HUMAN DDR1 KINASE DOMAIN IN COMPLEX WITH IMATINIB HOMO SAPIENS TRANSFERASE RECEPTOR RTK COLLAGEN DISCOIDIN DOMAIN RECETYROSINE KINASE
Ref.: STRUCTURAL MECHANISMS DETERMINING INHIBITION OF THE COLLAGEN RECEPTOR DDR1 BY SELECTIVE AND MULTI-TARGE II KINASE INHIBITORS J.MOL.BIOL. V. 426 2457 2014
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 5FDP ic50 = 309 nM 5WR C28 H31 F3 N6 O C[C@@H]1CN....
2 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
3 4BKJ ic50 = 41 nM STI C29 H31 N7 O Cc1ccc(cc1....
4 5BVN - 4VD C23 H20 F N5 O2 Cc1ccc(cc1....
5 5BVK - 4VC C13 H12 Cl N3 O c1ccc(c(c1....
6 5BVO - 4VE C24 H20 F N5 O2 Cc1ccc(cc1....
7 5BVW - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
8 3ZOS - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 5FDP ic50 = 309 nM 5WR C28 H31 F3 N6 O C[C@@H]1CN....
2 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
3 4BKJ ic50 = 41 nM STI C29 H31 N7 O Cc1ccc(cc1....
4 5BVN - 4VD C23 H20 F N5 O2 Cc1ccc(cc1....
5 5BVK - 4VC C13 H12 Cl N3 O c1ccc(c(c1....
6 5BVO - 4VE C24 H20 F N5 O2 Cc1ccc(cc1....
7 5BVW - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
8 3ZOS - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
50% Homology Family (728)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5UGX - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 3B2T - M33 C11 H17 N5 O9 P2 C[P@](=O)(....
3 1OEC - AA2 C25 H30 Cl N5 O CC(C)(c1cc....
4 4J96 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
5 2PZP - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 4J98 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
7 2PVY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
8 2PY3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
9 2PZ5 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
10 2PWL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
11 5UGL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 5UI0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
13 3CLY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
14 3RI1 ic50 = 1.23 uM 3RH C18 H15 N3 c1ccc(cc1)....
15 1Y6B ic50 = 38 nM AAX C25 H24 N4 O4 S COc1ccc(cc....
16 3VHE ic50 = 6.2 nM 42Q C21 H15 F4 N5 O2 Cn1ccc2c1c....
17 1Y6A ic50 = 0.022 uM AAZ C23 H21 N3 O4 S CCS(=O)(=O....
18 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
19 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
20 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
21 4RVK ic50 = 13.5 nM 3XK C19 H13 N5 O CC(=O)Nc1c....
22 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
23 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
24 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
25 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
26 5HU9 ic50 = 25 nM 66K C32 H36 F3 N5 O3 Cc1ccc(cc1....
27 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
28 3PYY - 3YY C18 H13 F N4 O2 c1ccc(cc1)....
29 1OPJ - MYR C14 H28 O2 CCCCCCCCCC....
30 3CS9 ic50 < 33 uM NIL C28 H22 F3 N7 O Cc1ccc(cc1....
31 3MSS - STI C29 H31 N7 O Cc1ccc(cc1....
32 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
33 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
34 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
35 4WA9 Ki = 3800 pM AXI C22 H18 N4 O S CNC(=O)c1c....
36 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
37 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
38 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
39 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
40 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
41 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
42 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
43 4TWP Ki = 100 pM AXI C22 H18 N4 O S CNC(=O)c1c....
44 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
45 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
46 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
47 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
48 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
49 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
50 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
51 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
52 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
53 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
54 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
55 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
56 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
57 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
58 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
59 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
60 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
61 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
62 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
63 5NK3 Kd = 38.02 nM 92Q C22 H22 Cl N5 O2 S Cc1cccc(c1....
64 5NKB Kd = 0.759 nM 8ZT C25 H28 Cl N5 O3 S Cc1cccc(c1....
65 5IA3 Kd = 46 nM P17 C21 H16 Cl2 N4 O S CN1c2c(cnc....
66 5I9V - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
67 5NK8 Kd = 0.229 uM 90Z C27 H32 Cl N5 O3 S Cc1cccc(c1....
68 5I9Z Kd = 9 nM 627 C26 H30 N6 O3 CN1CCN(CC1....
69 5IA5 Kd = 25 nM GV0 C33 H37 F2 N7 O4 CN1CCN(CC1....
70 5I9W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
71 5NK4 Kd = 1.995 nM 90E C23 H22 Cl F2 N5 O2 S Cc1cccc(c1....
72 5IA2 Kd = 19 nM L66 C22 H19 N5 O4 Cc1ccc(cc1....
73 5NKA Kd = 3.47 uM 91H C25 H25 Cl N4 O4 S Cc1cccc(c1....
74 5NKI Kd = 18.62 nM 8ZW C22 H23 Cl N4 O4 S2 Cc1cccc(c1....
75 5NK6 Kd = 0.158 uM 90W C24 H25 Cl N4 O3 S Cc1cccc(c1....
76 5I9X Kd = 30 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
77 5NKH Kd = 25.7 nM 8ZQ C29 H29 Cl N6 O2 S Cc1cccc(c1....
78 5IA1 Kd = 530 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
79 5NK2 Kd = 0.182 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
80 5IA0 Kd = 187 nM A5B C27 H20 Cl F N4 O4 COc1cccc(c....
81 5I9Y Kd = 2.8 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
82 5NK9 Kd = 0.724 uM 912 C25 H29 Cl N4 O3 S Cc1cccc(c1....
83 1MQB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
84 5NK5 - 90K C24 H20 Cl N5 O2 S Cc1cccc(c1....
85 5NKG Kd = 20.89 nM 8ZK C25 H28 Cl N5 O2 S CCc1cc(cc(....
86 5NJZ Kd = 16.6 nM 8ZH C23 H24 Cl N5 O2 S Cc1cccc(c1....
87 5NKF - 8ZN C24 H23 Cl F3 N5 O2 S Cc1cccc(c1....
88 5NK0 - 91E C23 H26 Cl N5 O2 S Cc1cccc(c1....
89 5NKE - 90B C23 H23 Br Cl N5 O2 S Cc1cccc(c1....
90 5NK7 Kd = 0.467 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
91 5NK1 - 90N C22 H19 Cl N8 O2 S Cc1cccc(c1....
92 5NKD Kd = 26.3 nM 91K C24 H23 Cl N4 O4 S Cc1cccc(c1....
93 5NKC Kd = 18.62 nM 90T C23 H21 Cl N4 O4 S Cc1cccc(c1....
94 5IA4 Kd = 52 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
95 5BMM Ki = 0.01 uM FUM ALC PFF PPN ORN n/a n/a
96 3G6H ic50 = 4.6 nM G6H C32 H28 F3 N7 O4 Cc1ccc(cc1....
97 4FIC ic50 = 20 uM 0UL C11 H9 N5 c1ccc(cc1)....
98 3DQX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
99 4MXO Kd = 0.73 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
100 3F6X - IHH C22 H19 N7 c1ccc2c(c1....
101 3G6G ic50 = 18 nM G6G C35 H37 N9 O2 Cc1ccc(cc1....
102 3U51 ic50 = 25 uM 08X C38 H49 N9 O7 c1ccc(cc1)....
103 3F3T ic50 = 64.1 uM 1AU C24 H25 N5 O CC(C)(C)c1....
104 3EL8 ic50 = 25 nM PD5 C22 H20 F3 N7 O CC(C)n1c2c....
105 4LGG ic50 = 4 nM VGG C17 H21 N5 Cc1cccc(c1....
106 2OIQ Kd = 42 uM STI C29 H31 N7 O Cc1ccc(cc1....
107 4YBK Kd = 15 nM 4B7 C27 H29 N7 O3 S Cc1nc(cc(n....
108 1YOL - S03 C25 H27 N5 O2 COc1cccc(c....
109 3F3U ic50 < 1 uM 1AW C20 H23 N5 O CC(C)(C)c1....
110 3U4W ic50 = 0.13 uM 08L C36 H46 N8 O8 c1ccc(cc1)....
111 4O2P Ki = 0.2 uM 11V C25 H27 Cl N6 O S c1ccc(cc1)....
112 2BDJ ic50 = 0.00045 uM HET C26 H30 N5 O2 P CP(=O)(C)c....
113 2BDF ic50 = 0.067 uM 24A C20 H28 N6 O5 P2 CCn1cnc2c1....
114 3GEQ - PP2 C15 H17 Cl N5 CC(C)(C)n1....
115 3EN6 ic50 = 0.235 uM KS5 C17 H16 N6 CC(C)n1c2c....
116 3UQG - B5A C11 H16 N6 c1c2c(ncnc....
117 3UQF Ki = 0.2 uM BK5 C20 H21 N5 O CCOc1ccc2c....
118 4U5J ic50 = 2.92 uM RXT C17 H18 N6 c1c[nH]c2c....
119 3G5D ic50 = 0.0004 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
120 3DQW - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
121 4ZSA ic50 = 15 nM 4UT C27 H29 N5 O2 CCN1CCN(CC....
122 5B7V ic50 = 9.3 nM LWJ C20 H16 N6 O Cc1[nH]c2c....
123 3JS2 - VM1 C10 H7 N O2 S c1cc(sc1)c....
124 5A4C Kd = 5.7 nM XOJ C27 H39 N7 O3 CCN(CC)CCC....
125 5AM7 Kd = 64.5 nM 38O C21 H21 F N6 O CN1CCN(CC1....
126 1FGI - SU1 C17 H16 N2 O3 Cc1c[nH]c(....
127 4V04 Kd = 7.7 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
128 4RWL Kd = 8 nM 3ZC C26 H25 N3 O4 CNC(=O)c1c....
129 4NKS Kd = 69.1 nM 2M2 C20 H21 N7 O Cc1cc(on1)....
130 4F64 ic50 = 63 nM 0S8 C16 H20 Br N7 O2 Cc1cc(on1)....
131 5EW8 - 5SF C25 H30 N6 O2 CC(C)NCCN(....
132 4RWJ Kd = 2 nM 66T C26 H33 N5 O3 C[C@@H]1CN....
133 3RHX ic50 = 0.84 uM 3RH C18 H15 N3 c1ccc(cc1)....
134 4NKA Kd = 447 nM 2K7 C22 H25 N7 O3 Cc1cc(on1)....
135 2FGI Ki = 36.4 nM PD1 C28 H41 N7 O3 CCN(CC)CCC....
136 3C4F ic50 = 1.9 uM C4F C15 H14 N2 O COc1cccc(c....
137 1AGW - SU2 C20 H21 N3 O2 c1ccc2c(c1....
138 5UR1 ic50 = 1.06 nM YY9 C31 H35 Cl2 N7 O4 CN(C)C/C=C....
139 4F65 ic50 = 2.5 nM 0S9 C20 H20 Br N7 O Cc1cc(on1)....
140 5AM6 Kd = 185 nM 38O C21 H21 F N6 O CN1CCN(CC1....
141 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
142 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
143 3BE2 ic50 = 2 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
144 2P2H ic50 = 68 nM 994 C23 H22 N6 O3 COc1cc(cc(....
145 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
146 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
147 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
148 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
149 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
150 3WZE Kd = 33 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
151 1YWN ic50 ~ 0.003 uM LIF C27 H19 F4 N5 O3 COc1ccc(cc....
152 3WZD Kd = 2.1 nM LEV C21 H19 Cl N4 O4 COc1cc2c(c....
153 5EW3 ic50 = 0.0012 uM 5T2 C20 H16 F3 N3 O c1ccc(c(c1....
154 3CJF ic50 = 6.3 nM SAV C21 H22 N6 O3 Cc1c2ccc(c....
155 2QU6 Ki = 3 nM 857 C26 H26 Cl N5 O4 CNC(=O)c1c....
156 3U6J - 03X C29 H25 F N4 O5 CC1=C(C(=O....
157 3EWH ic50 = 69 nM K11 C28 H20 F3 N7 O CNc1nccc(n....
158 2P2I ic50 = 38 nM 608 C24 H20 N4 O2 c1ccc(cc1)....
159 3C7Q ic50 = 21 nM XIN C31 H33 N5 O4 CN1CCN(CC1....
160 4F1T - H52 C16 H21 N3 O2 S Cc1cncc2c1....
161 4YZN ic50 = 15.4 uM 4K5 C20 H21 F4 N5 O3 COc1cc(c(c....
162 4F1O - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
163 4F0F - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
164 5DNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
165 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
166 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
167 2WGJ Ki = 0.002 uM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
168 4DEH ic50 = 612 nM 0JK C21 H17 N5 O c1ccc(cc1)....
169 4IWD ic50 = 1 nM 1JC C29 H28 N6 O3 S c1ccnc(c1)....
170 3F82 ic50 = 3.9 nM 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
171 4XYF - 44X C24 H22 F N5 O3 Cc1cc(on1)....
172 2RFS - AM8 C23 H22 Cl N3 O3 S Cc1c(c([nH....
173 4R1V ic50 = 400 nM 3E8 C29 H28 N6 O2 CN1CCC(CC1....
174 3CTH ic50 = 0.035 uM 319 C20 H16 F2 N4 O3 c1cc(ccc1C....
175 4AOI Ki = 0.004 uM 4K0 C19 H12 N8 c1cc2c(c[n....
176 3DKC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
177 4XMO ic50 = 2 nM 46G C22 H17 F2 N5 O2 Cc1cc(on1)....
178 4R1Y ic50 < 1 nM 3EH C26 H34 N4 O5 S CCN(CC)CCC....
179 4GG5 ic50 = 0.93 nM 0J3 C22 H22 F3 N5 O2 CN1CCN(CC1....
180 4AP7 Ki = 0.011 uM F47 C17 H12 F N5 O c1cc(ccc1C....
181 3Q6W Kd = 27 nM Q6W C31 H30 N6 O2 c1ccnc(c1)....
182 3CD8 ic50 = 9 nM L5G C22 H17 N5 O2 COc1ccc2c(....
183 4EEV ic50 = 42 nM L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
184 3RHK ic50 = 520 nM M97 C23 H16 N3 O2 c1ccc2c(c1....
185 4GG7 ic50 = 6.5 nM 0J8 C23 H21 F3 N8 O2 c1cc(cc(c1....
186 3ZZE Ki = 0.0013 uM 6XP C18 H18 Cl N3 O3 Cc1ccc(c2c....
187 3U6I - 044 C30 H27 F N4 O5 CC1=C(C(=O....
188 4DEI ic50 = 1 nM 0JL C23 H22 N6 O3 S Cc1cc(sn1)....
189 2WD1 ic50 = 82 nM ZZY C14 H10 N4 O5 S c1ccc(c(c1....
190 3CE3 ic50 = 1.8 nM 1FN C25 H16 F2 N4 O3 c1cc(ccc1N....
191 3LQ8 ic50 = 0.4 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
192 3EFK Ki = 14 nM MT4 C28 H22 F2 N4 O4 CN1C(=O)C(....
193 3ZCL Ki = 0.0101 uM 5TF C17 H19 N7 C[C@@H](c1....
194 5UAB - 84M C16 H13 N7 O S c1ccn2c(c1....
195 3ZC5 Ki = 0.0103 uM W9Z C20 H17 N7 C[C@@H](c1....
196 3U6H Ki = 1 nM 03X C29 H25 F N4 O5 CC1=C(C(=O....
197 3ZBX Ki = 0.006 uM 6XE C20 H13 F N6 c1cc2cc(cc....
198 1R0P Kd = 10 nM KSA C27 H21 N3 O5 C[C@@]12[C....
199 5HOR ic50 = 6 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
200 5HO6 ic50 = 204 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
201 3VW8 - DF6 C26 H23 N3 O4 S COc1cc2c(c....
202 3L8V ic50 = 0.008 uM L8V C23 H16 F3 N5 O2 c1cc(c(nc1....
203 5EYD ic50 = 1 nM 5T1 C23 H22 F N7 O3 C[C@H](c1n....
204 4DEG ic50 = 6 nM 0JJ C19 H16 N8 O S Cc1cc(sn1)....
205 5HLW ic50 = 23 nM 62E C26 H28 N8 O S3 CCN1CCC(CC....
206 5HNI ic50 = 10 nM 63B C20 H14 F N7 O2 S COC(=O)Nc1....
207 3R7O - M61 C28 H32 N6 O5 S CN(C[C@@H]....
208 3DKG - SX8 C18 H13 N7 S Cn1cc(cn1)....
209 5EOB ic50 = 0.24 nM 5QQ C20 H11 F3 N6 c1cc2cc(cc....
210 5HOA ic50 = 64 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
211 5UAF - 84P C21 H19 N9 O Cn1cc(cn1)....
212 3ZXZ Ki = 0.005 uM KRW C19 H16 N8 O c1cc2cc(cc....
213 3DKF ic50 = 4 nM SX8 C18 H13 N7 S Cn1cc(cn1)....
214 5EYC ic50 = 3 nM 5SZ C20 H15 F N6 O2 Cc1cc(on1)....
215 3CTJ ic50 = 0.11 uM 320 C22 H16 F2 N4 O3 c1cc(ccc1C....
216 2RFN ic50 = 5 nM AM7 C35 H35 F N4 O5 CN1C(=NC=C....
217 3QTI ic50 = 14 nM 3QT C20 H16 N6 Cn1cc(cn1)....
218 3CCN ic50 = 120 nM LKG C18 H14 N4 O c1ccc(cc1)....
219 3F66 ic50 = 0.9 uM IHX C20 H19 F3 N4 O CN1CCN(CC1....
220 2WKM ic50 = 9 nM PFY C32 H34 Cl2 N4 O4 S Cc1c([nH]c....
221 3I5N ic50 = 17 nM B2D C21 H17 N7 O COc1cc2c(c....
222 4KNB ic50 = 0.047 uM 1RU C23 H22 Cl2 F N5 O2 C[C@H](c1c....
223 5AUU ic50 = 21 uM LU2 C15 H10 O6 c1cc(c(cc1....
224 3TUC ic50 = 100 nM FPW C29 H24 N4 O5 COc1cc2c(c....
225 4YJQ - 4DK C24 H23 N7 O2 Cc1c(ocn1)....
226 4I0R ic50 = 14 nM 1B4 C19 H22 N4 O4 CC(C)NC(=O....
227 4YJP - 4DL C20 H19 N7 O3 S c1cc2c(cn[....
228 5C27 - GLU VAL TYR GLU SER n/a n/a
229 5LMB ic50 = 16 nM 6ZF C20 H25 N7 CN(C)c1ccc....
230 5TR6 ic50 = 3.2 nM 7KG C17 H21 F N6 O Cn1cc(cn1)....
231 4XG4 ic50 = 21.5 nM X4G C24 H30 F N5 O3 Cc1cc(cc(c....
232 4WNM Ki = 18 nM 3RT C24 H29 N7 O2 c1cc(n2c(c....
233 4YJT - 4DQ C20 H18 F N7 O2 S CCN(c1cccc....
234 4PV0 Kd = 4 nM CG4 C28 H23 N5 O5 COc1ccc(cc....
235 4FYO ic50 = 47 nM 0VF C25 H24 N6 O5 S COc1ccc(cc....
236 5LMA ic50 = 0.25 uM 6ZG C18 H21 N5 Cc1ccc(cc1....
237 3FQE Ki = 0.02 uM P5C C18 H24 N6 O Cc1cccc(c1....
238 4FYN - 0VE C22 H23 N5 O2 CCN(CCO)c1....
239 4I0T ic50 = 26 nM 1B6 C18 H22 N6 O CC(C)(C)NC....
240 4YJS - 4DN C21 H21 N7 O3 S c1cc2c(cn[....
241 4FL1 Kd = 520 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
242 4RX8 ic50 = 35 nM 3YX C18 H22 N8 O c1cc2cc[nH....
243 5CXZ ic50 = 552 nM 55U C19 H23 N5 CN(C)c1ccc....
244 5TT7 ic50 = 13 nM 7KF C19 H24 N6 O Cc1cccc(c1....
245 5CY3 ic50 = 16 nM 55Y C16 H16 N4 O3 S C[C@H]([C@....
246 3TUD ic50 = 2.1 nM FPX C29 H22 F3 N5 O2 Cc1ccc(cc1....
247 4FZ6 ic50 = 127 nM 0VG C22 H22 N6 C[C@H]1CCC....
248 4YJU - 4DO C19 H16 F N7 O2 S CN(c1cccc2....
249 4XG6 ic50 = 9.7 nM X6G C20 H24 N6 O Cc1cc(cc(c....
250 3VF9 ic50 = 358.2 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
251 3FQH ic50 = 0.57 uM 057 C21 H22 N4 O2 CC(C)(CO)N....
252 3FQS ic50 = 0.041 uM 585 C22 H23 F N6 O5 CC1(C(=O)N....
253 4DFL ic50 = 2.4 uM 0K0 C18 H24 N6 O3 S CS(=O)(=O)....
254 5TIU ic50 = 5 nM 7CU C16 H18 N6 O C[C@@H](CN....
255 1XBC ic50 = 0.012 uM STU C28 H26 N4 O3 C[C@@]12[C....
256 4PUZ ic50 = 7.7 nM CG9 C23 H21 N7 O c1cc(ccc1N....
257 4XG3 ic50 = 17.5 nM X3G C23 H28 F N5 O4 S Cc1cc(cc(c....
258 4XG7 ic50 = 32.6 nM X7G C20 H22 N8 O Cc1c(cn(n1....
259 3TUB ic50 = 320 nM FPU C26 H24 N4 O4 COc1cc2c(c....
260 4XG8 ic50 = 1.9 nM X8G C20 H21 Cl N8 O Cc1c(cn(n1....
261 1XBB Ki = 5 uM STI C29 H31 N7 O Cc1ccc(cc1....
262 4F4P ic50 = 0.6 nM 0SB C21 H20 F3 N5 c1cc(cc(c1....
263 4RX7 ic50 = 5 nM 3YV C18 H22 N10 O c1cc(cc(c1....
264 4YJO - 4DF C20 H18 Cl N7 O2 S CCN(c1cccc....
265 4RSS ic50 = 1.7 nM 4MG C23 H27 N7 O Cc1c(n(c2c....
266 5CXH ic50 = 5 nM 55M C20 H21 N3 O4 S C[C@H]([C@....
267 3VF8 ic50 = 150 nM 0JE C17 H21 F N6 O2 CCN(CC)C(=....
268 5C26 ic50 = 0.17 uM 50H C21 H19 N5 O3 COc1ccc(cc....
269 4PX6 ic50 = 4 nM 2X6 C21 H23 N7 O c1cc2cc[nH....
270 4RX9 ic50 = 19 nM 3YT C19 H23 N9 O c1cc(cc(c1....
271 4DFN ic50 = 0.04 uM 0K1 C25 H28 N6 O2 Cn1cc(cn1)....
272 4YJR - 4DJ C22 H22 N8 O Cn1c2ccc(c....
273 4I0S ic50 = 36 nM 1B5 C18 H17 Cl N6 O CC(C)NC(=O....
274 4GK3 - L87 C19 H21 N5 O2 CCCCn1c(cn....
275 3FY2 - LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP n/a n/a
276 4TWO ic50 = 8000 nM 37W C19 H22 N2 O4 S Cc1ccc(cc1....
277 4P4C - 25Q C18 H15 N5 O2 COc1cccc(c....
278 4GK2 - L66 C22 H19 N5 O4 Cc1ccc(cc1....
279 4TWN - B96 C31 H37 N5 O3 Cc1ccc(cc1....
280 2QOQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
281 4GK4 - L90 C20 H21 N7 O2 CCCCn1c(cn....
282 3FXX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
283 2QO7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
284 4P5Q - Q0B C22 H22 Cl N5 O2 CCOCCCNC(=....
285 2QOC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
286 4P5Z Kd = 39.3 nM Q7M C25 H18 F3 N7 O2 c1ccc2c(c1....
287 2QO9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
288 4XV2 ic50 = 0.0054 uM P06 C23 H20 F3 N5 O2 S2 CC(C)(C)c1....
289 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
290 4XV9 ic50 = 0.19 uM 1OO C21 H11 Cl F5 N3 O3 S c1cc(ccc1C....
291 5ITA - 6DC C19 H19 N5 O3 S CCCS(=O)(=....
292 5JRQ - 6N9 C24 H23 F2 N3 O4 S CCCS(Nc1cc....
293 4XV1 ic50 = 0.0042 uM 904 C24 H22 F2 N6 O3 S CCN(C)S(=O....
294 4EWH Ki = 0.0003 uM T77 C26 H29 N5 O S2 CN(C)CCOc1....
295 3EQP - T95 C33 H38 N6 O4 CCOc1ccccc....
296 1U4D - DBQ C11 H11 N5 O2 c1c[nH]c2c....
297 3EQR Ki = 0.002 uM T74 C29 H38 N8 O Cc1cccc(c1....
298 1U59 ic50 = 55.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
299 5DA3 ic50 = 80 nM 58V C23 H22 Cl N7 O2 c1cc(c(cc1....
300 4OTF ic50 = 0.006 uM 2VL C33 H36 N6 O3 S Cc1c(cccc1....
301 5BQ0 ic50 = 15 nM 4US C25 H23 Cl N4 O2 CN1CCN(CC1....
302 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
303 5JRS ic50 = 30 nM 6MV C30 H23 F N4 O3 CC(C)(c1cc....
304 5FBO ic50 = 0.31 nM 5WH C29 H27 F4 N7 O2 C[C@H]1CC[....
305 5KUP ic50 = 7.5 nM 6XL C28 H26 F N7 O3 CC(C)(C)c1....
306 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
307 4NWM ic50 = 0.038 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
308 5P9H - 7G7 C34 H37 F N8 O3 CC(C)(C)c1....
309 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
310 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
311 4ZLY ic50 = 3.5 uM 4RU C9 H8 N4 O c1ccc2c(c1....
312 5U9D ic50 = 0.00055 uM 83P C27 H24 N6 O3 CNC(=O)[C@....
313 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
314 5VGO Ki = 1.28 nM 9B1 C29 H29 N5 O3 S CC1(Cc2c3c....
315 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
316 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
317 5P9G - 7G6 C35 H35 F N6 O3 CN1CCN(CC1....
318 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
319 5T18 ic50 = 0.5 nM 73T C32 H30 F2 N4 O4 Cc1c(cccc1....
320 5P9I - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
321 4Z3V ic50 = 4 nM 4L6 C17 H14 N6 O Cc1cc2cn[n....
322 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
323 5BPY - 4UQ C33 H40 N6 O4 CC(C)(C)c1....
324 5FBN ic50 = 0.17 nM 5WF C29 H28 F3 N7 O3 CC1(COC1)C....
325 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
326 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
327 4ZLZ ic50 = 100 nM 4RV C15 H13 N5 O Cc1ccncc1c....
328 4Y95 - 746 C34 H37 N5 O4 Cc1c(cccc1....
329 4RX5 ic50 = 3 nM 3YO C27 H24 F N7 O2 S Cc1c(ccc(c....
330 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
331 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
332 5P9F - 2VL C33 H36 N6 O3 S Cc1c(cccc1....
333 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
334 5JFV ic50 = 6 nM 6K1 C23 H21 Cl N6 O2 CC(C)n1cc(....
335 4YNE - 4EK C21 H18 F N5 c1ccnc(c1)....
336 4PMM ic50 = 662 nM 31V C27 H26 N8 O2 Cc1cn(cn1)....
337 4PMP ic50 = 4233 nM 31W C21 H18 F3 N3 O2 S c1cc(cc(c1....
338 5H3Q ic50 = 6 nM 7HF C26 H31 F2 N5 O3 CCOc1c(c(n....
339 5KMI - 6UE C25 H20 N4 O Cc1ncc(c(n....
340 5KML - 6UH C19 H16 F3 N3 O2 Cc1c(c(no1....
341 4PMT ic50 = 997 nM 31Y C23 H23 N7 O c1cc(cnc1)....
342 5KMM - 6UJ C22 H18 N4 O Cc1ncc(c(n....
343 4YPS - 4F6 C23 H18 F N5 O c1cc(cc(c1....
344 5JFW ic50 = 62 nM 6K2 C24 H20 N6 O2 CC(C)n1cc(....
345 5JFX ic50 = 6 nM 6K4 C23 H22 Cl N7 O3 CC(C)(CO)n....
346 5KMN - 6UK C20 H17 F3 N4 O Cc1ncc(c(n....
347 5JFS ic50 = 2 nM 6K0 C22 H19 F2 N7 O2 CC(C)n1cc(....
348 5KMJ - 6UF C20 H17 N3 O S c1ccc2c(c1....
349 5KMK - 6UG C20 H13 F5 N2 O Cc1ccc(c(n....
350 4YMJ ic50 = 83 nM 4EJ C20 H15 N5 c1ccc(cc1)....
351 4QMM ic50 = 0.46 uM 35R C19 H23 N7 O2 c1cc2c(cc1....
352 4QMU ic50 = 1.3 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
353 4W8E - 3JB C20 H17 N7 O2 Cc1nc(no1)....
354 4QMZ ic50 = 0.21 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
355 4QNA ic50 = 0.023 uM X11 C9 H9 N5 O c1ccc(c(c1....
356 4QMO ic50 = 0.019 uM 34L C13 H8 N4 O S c1cc2c(c3c....
357 4QMY ic50 = 0.004 uM STU C28 H26 N4 O3 C[C@@]12[C....
358 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
359 4W8D - 3JA C14 H16 N6 O Cn1cc(cn1)....
360 4QMN ic50 = 0.003 uM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
361 4QMS ic50 = 7.4 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
362 4QMV ic50 = 0.023 uM 34W C23 H25 F3 N6 O2 CC(=O)NCC(....
363 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
364 1OPK - MYR C14 H28 O2 CCCCCCCCCC....
365 5MO4 - NIL C28 H22 F3 N7 O Cc1ccc(cc1....
366 2FO0 - P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
367 3D94 ic50 = 118 nM D94 C30 H31 N7 CN1CCN(CC1....
368 2OJ9 ic50 = 0.39 uM BMI C22 H19 N7 O Cc1cc(cc2c....
369 3I81 ic50 = 13 nM EBI C23 H24 F N9 O C[C@]1(CCC....
370 5HZN ic50 = 0.06 uM 66A C27 H29 N5 O c1ccc(cc1)....
371 4D2R ic50 = 3.3 uM DYK C24 H26 N6 O2 CN1CCC(CC1....
372 3O23 ic50 = 0.5 uM MQY C21 H16 F3 N3 O4 S C[C@H]1C(=....
373 3NW6 ic50 = 7 nM LGW C22 H21 F N8 O c1cc2c(nc(....
374 3NW5 ic50 = 8400 nM LGX C22 H21 F N8 O c1cc2c(nc(....
375 2ZM3 ic50 = 2.42 uM 575 C21 H20 Br N3 O2 c1cc(ccc1C....
376 1JQH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
377 3NW7 ic50 = 5.3 nM LGV C19 H17 F N8 O c1cc2c(nc(....
378 2C0I - L1G C33 H39 N9 O2 Cn1c2ccccc....
379 3VRZ - VRZ C25 H26 N6 O c1ccc(cc1)....
380 1QCF - PP1 C16 H19 N5 Cc1ccc(cc1....
381 3VS3 - VSE C29 H34 N6 O CN1CCN(CC1....
382 2C0T - L3G C32 H36 N8 O3 Cn1c2ccccc....
383 3VS1 - VSA C24 H24 N6 O c1ccc(cc1)....
384 3VS6 - VSH C20 H26 N6 O3 CC(C)n1c2c....
385 3VRY ic50 = 7.7 nM B43 C23 H22 N4 O c1ccc(cc1)....
386 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
387 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
388 2SRC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
389 1Y57 ic50 = 1633 nM MPZ C28 H29 N7 O CN1CCN(CC1....
390 3BRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
391 5U6C Ki < 0.05 nM 7YS C21 H22 Cl F N6 O3 Cc1c-2c(n(....
392 5TC0 ic50 = 25 nM 79Y C18 H19 N5 O4 S2 CS(=O)(=O)....
393 5K0X ic50 = 4.4 nM K0X C24 H34 F N7 O2 c1cc(ccc1C....
394 2P0C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
395 3W32 ic50 = 75 nM W32 C25 H23 Cl F3 N5 O4 S CS(=O)(=O)....
396 5CAU Ki = 1.6 nM 4ZR C21 H25 F4 N7 O2 C[C@H](c1n....
397 5D41 ic50 = 0.024 uM 57N C19 H15 N3 O2 S c1ccc(cc1)....
398 4I22 - IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
399 2ITV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
400 3POZ ic50 = 23 nM 03P C26 H25 Cl F3 N5 O3 CC(C)(CC(=....
401 5HCY Ki = 1.2 nM 60D C26 H30 N8 O4 S CC(C)n1cc(....
402 5CAP Ki = 52 nM 4ZH C19 H26 N6 O3 S Cc1nc2cnc(....
403 3W33 ic50 = 36 nM W19 C25 H22 Cl N5 O3 S c1cc(c2ccs....
404 2ITN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
405 4RJ8 Ki = 17 nM 3QS C22 H28 N6 O COC1CCN(CC....
406 5CAS Ki = 1.4 nM 4ZQ C21 H25 F4 N7 O2 C[C@H](c1n....
407 3VJN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
408 3UG2 Kd = 5.6 nM IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
409 5CNN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
410 5CAQ Ki = 2.7 nM 4ZJ C20 H26 F N7 O Cc1nc2cnc(....
411 2RGP ic50 = 0.3 uM HYZ C24 H27 F N8 c1cc(cc(c1....
412 5UGA Ki = 161 nM 8BM C25 H35 N9 O CC(C)n1cnc....
413 5CNO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
414 5C8N Ki = 492 nM 4YX C22 H32 N8 O Cc1nc2cnc(....
415 1XKK Ki = 3 nM FMM C29 H26 Cl F N4 O4 S CS(=O)(=O)....
416 3BEL ic50 = 0.014 uM POX C22 H22 F N7 O2 COCCO/N=C/....
417 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
418 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
419 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
420 5CF6 ic50 = 8.2 nM 50O C20 H26 N6 O3 CNc1c2c(c3....
421 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
422 5TQ4 ic50 = 4.2 nM 7GY C16 H15 N3 O2 CCc1cc(ccc....
423 5USY - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
424 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O C[C@@H]1CC....
425 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
426 5CF5 ic50 = 2.5 nM 50W C23 H27 N7 O S CCn1c(cc2c....
427 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
428 4YTC - 4HW C18 H16 N8 c1ccc(cc1)....
429 4E6D Ki = 0.88 nM 0NU C16 H16 N6 O c1c[nH]c2c....
430 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
431 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
432 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
433 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
434 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
435 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
436 5CF8 ic50 = 1.1 nM 50V C23 H28 N8 O CCn1c(cc2c....
437 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
438 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
439 4BBF ic50 = 2.2 nM O19 C25 H28 N6 O2 c1cc(ccc1c....
440 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
441 5WEV Ki = 0.15 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
442 4E6Q Ki = 4.56 nM 0NV C20 H21 N5 c1ccc(cc1)....
443 5TQ5 ic50 = 58.8 nM 7GX C22 H20 N4 O2 CCc1cc(ccc....
444 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
445 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
446 5TQ6 ic50 = 123.6 nM 7GV C18 H26 N6 O C[C@@H]1CC....
447 4YTF Ki = 0.007 uM 4HZ C16 H13 Cl F4 N6 O C[C@@H](C(....
448 5AEP ic50 = 0.068 uM QUP C18 H14 Cl N5 O Cc1ccc(cc1....
449 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
450 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
451 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
452 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
453 5TQ8 ic50 = 23.1 nM 7GS C31 H31 F N8 O2 CCc1cc(c(c....
454 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
455 4YTH Ki = 0.002 uM 467 C17 H15 Cl F4 N6 O CC(C)(C(=O....
456 4IVA - 1J5 C17 H19 N5 O C[C@H](c1n....
457 4BBE ic50 = 3.6 nM 3O4 C22 H23 N5 O2 CC(=O)Nc1c....
458 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 C[C@@H](c1....
459 5CF4 ic50 = 40 nM 50Y C22 H30 N6 O2 CCn1c(cc2c....
460 5L3A Kd = 13 uM 6DP C8 H9 N3 O2 S CS(=O)(=O)....
461 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
462 4F09 Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
463 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
464 5TQ7 - 7GT C24 H30 N6 O3 S C[C@@H]1CC....
465 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
466 5AAA Ki = 0.38 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
467 4CLJ Ki = 0.1 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
468 4CMO Ki = 0.85 nM YPW C20 H20 F N5 O3 C[C@H](c1c....
469 5AA8 Ki = 8.6 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
470 3LCS - STU C28 H26 N4 O3 C[C@@]12[C....
471 4CCU - AWF C22 H23 F N6 O2 S Cc1c(sc(n1....
472 5IUH ic50 = 402 nM 34Y C30 H36 N8 O3 Cc1cc(ccc1....
473 2XB7 Ki = 0.65 nM GUI C30 H40 Cl N7 O3 S CC(C)S(=O)....
474 5J7H ic50 = 0.37 nM 6GY C29 H39 Cl N7 O2 P CN1CCN(CC1....
475 4CCB - OFG C19 H18 F N7 O Cc1c(c[nH]....
476 4CTC - J99 C23 H24 F N5 O2 C[C@@H]1c2....
477 4FOD ic50 = 0.0012 uM 0UV C33 H44 F N5 O3 CC(C)NC(=O....
478 4DCE ic50 = 0.174 uM 0JF C27 H33 N5 O4 Cc1ccc(cc1....
479 5AAC Ki = 1.3 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
480 5IUI - 45Q C23 H28 N6 O Cc1cc(ccc1....
481 5IMX - CZ4 C27 H38 Cl N7 O3 S Cc1cc(c(cc....
482 4ANQ ic50 = 605 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
483 4Z55 ic50 = 13 nM 4LO C30 H39 N7 O3 S Cc1cc(c(cc....
484 5A9U Ki = 0.08 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
485 4FOB ic50 = 0.005 uM 0US C30 H39 N5 O4 S C=CCNS(=O)....
486 5FTQ ic50 = 0.01 uM U4W C32 H36 F2 N6 O2 CN1CCN(CC1....
487 3AOX Kd = 2.4 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
488 5AA9 Ki = 6.4 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
489 3LCT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
490 2XBA Ki = 23.68 nM 571 C25 H27 N6 O3 CN1CCN(CC1....
491 5IUG ic50 = 177 nM 729 C31 H38 N8 O3 Cc1cc(ccc1....
492 4MKC - 4MK C28 H36 Cl N5 O3 S Cc1cc(c(cc....
493 4CTB - KVC C23 H18 F N7 O2 C[C@@H]1c2....
494 5AAB Ki = 0.88 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
495 2XP2 - VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
496 4CLI Ki < 0.07 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
497 4CMT Ki < 0.2 nM GWH C22 H22 F N5 O3 S C[C@H](c1c....
498 4FOC ic50 = 0.003 uM 0UU C28 H34 N4 O3 COC(=O)C1C....
499 4CNH Ki = 4 nM 3U9 C17 H18 F N5 O2 C[C@H](c1c....
500 4FNY ic50 = 0.256 uM I3K C24 H18 Cl N3 O4 COc1cc2c(c....
501 5KZ0 Ki = 22 nM 6YL C21 H24 F N5 O2 Cc1c(cn(n1....
502 4CMU Ki < 0.2 nM IV7 C21 H22 F N5 O2 Cc1c-2c(n(....
503 5FTO ic50 = 0.012 uM YMX C31 H34 F2 N6 O2 CN1CCN(CC1....
504 1MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
505 2JKK ic50 = 6.24 nM BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
506 4K9Y Kd = 0.111 uM K9Y C26 H27 N9 O Cc1ccc(cc1....
507 4Q9S ic50 = 156 uM 30G C10 H9 N3 O2 c1ccc2c(c1....
508 4D5H - 9RM C11 H9 F3 N4 O CC1=C(NC(=....
509 4D4V - KB8 C15 H16 F3 N3 Cc1ccc2c(c....
510 4GU6 Kd = 44 nM 10N C22 H20 N6 O2 S CN(c1c(ccc....
511 4KAO Kd = 0.77 uM KAO C26 H27 N5 O Cc1ccc(cc1....
512 2JKM ic50 = 17.76 nM BII C25 H32 Cl N7 O3 S CC(C)NS(=O....
513 3BZ3 ic50 = 1.5 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
514 4GU9 Kd = 43 uM 4GU C11 H8 F N5 c1ccc(c(c1....
515 4EBV ic50 = 0.99 uM 0O7 C18 H17 N3 O2 S CCc1ccc(cc....
516 2JKO ic50 = 7.7 nM BIJ C25 H28 Cl N7 O2 CN1CCN(CC1....
517 4I4E ic50 = 0.5 uM 1BQ C24 H26 N4 O4 S CN1c2ccc(c....
518 2J0L - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
519 4I4F ic50 = 0.64 uM 1BR C22 H26 N4 O2 S CC(C)(C)c1....
520 4BRX ic50 = 0.32 uM KGW C22 H25 N7 O3 CNC(=O)c1c....
521 4D4S - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
522 4D58 - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
523 4C7T ic50 = 0.14 uM 5RI C20 H22 N6 O4 CNC(=O)c1c....
524 4IVB Ki = 1.9 nM 1J5 C17 H19 N5 O C[C@H](c1n....
525 4EI4 Ki = 1.8 nM 0Q2 C15 H18 N4 O Cc1nc2cnc3....
526 4IVC Ki = 0.1 nM 1J6 C18 H21 N5 O C[C@H](c1n....
527 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O C[C@@H]1CC....
528 4K77 Ki = 235 nM 1Q4 C13 H16 N4 O c1nc2c(c(n....
529 4EHZ Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
530 4I5C Ki = 1.5 nM C5I C15 H15 N7 O c1c[nH]c2c....
531 4IVD Ki = 0.3 nM 15T C19 H23 N5 O C[C@H](c1n....
532 5E1E ic50 = 0.022 uM 5JG C20 H23 Cl F N5 O2 COc1cc(c(c....
533 4E5W Ki = 22 nM 0NT C21 H28 N6 O CC(C)N1CCC....
534 5HX8 ic50 = 0.1 nM 66P C18 H21 N5 O c1ccc2c(c1....
535 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
536 4E4N Ki = 0.9 nM 0NL C18 H23 N5 O2 CC(C)(C)OC....
537 4E4L Ki = 1.7 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
538 4FK6 Ki = 0.2 nM 0UJ C17 H21 N5 O2 S CS(=O)(=O)....
539 4E1Z - 0MX C24 H17 Cl N4 O4 S c1cc(cc(c1....
540 4GFO Ki = 0.24 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
541 4GJ3 Ki = 1.4 nM 0XP C17 H11 Cl2 F N4 O2 c1cnc(cc1N....
542 4GII Ki = 1.8 nM 0X6 C17 H12 Cl2 N4 O2 c1cnc(cc1N....
543 3NYX Ki = 32 nM TZ1 C16 H9 Cl N4 O S3 c1cc(sc1)C....
544 4GVJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
545 3NZ0 - IZA C18 H16 F N3 O CC(C)(C)c1....
546 4GJ2 Ki = 2.5 nM 0XH C16 H12 Cl2 F N3 O2 c1cc(c(c(c....
547 3LXP - IZA C18 H16 F N3 O CC(C)(C)c1....
548 5WAL Ki = 0.0017 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
549 4GIH Ki = 0.0048 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
550 3C1X ic50 = 0.045 uM CKK C27 H27 F2 N7 O3 c1cc(ccc1C....
551 3LXN Ki = 4.4 nM MI1 C16 H20 N6 O C[C@@H]1CC....
552 4PY1 - 2YK C17 H16 N6 O2 S Cn1cc(cn1)....
553 4H1J ic50 = 1200 nM 0YH C26 H30 N6 O2 Cc1ccc(cc1....
554 3FZT ic50 = 637 nM 4JZ C24 H27 N7 O2 Cc1ccc(cc1....
555 3H3C ic50 = 140 nM P1E C19 H25 F3 N6 O2 S CNS(=O)(=O....
556 4H1M ic50 = 78 nM 0YJ C27 H32 N6 O2 Cc1ccc(cc1....
557 5TO8 ic50 = 3.1 nM 7FM C25 H26 F3 N7 O3 S CS(=O)(=O)....
558 3FZP - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
559 3FZS ic50 = 1.5 uM B96 C31 H37 N5 O3 Cc1ccc(cc1....
560 5FDP ic50 = 309 nM 5WR C28 H31 F3 N6 O C[C@@H]1CN....
561 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
562 4BKJ ic50 = 41 nM STI C29 H31 N7 O Cc1ccc(cc1....
563 5BVN - 4VD C23 H20 F N5 O2 Cc1ccc(cc1....
564 5BVK - 4VC C13 H12 Cl N3 O c1ccc(c(c1....
565 5BVO - 4VE C24 H20 F N5 O2 Cc1ccc(cc1....
566 5BVW - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
567 3ZOS - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
568 3KRL ic50 = 0.8 nM KRL C22 H27 N5 O2 CN1CCN(CC1....
569 3DPK ic50 = 4.1 nM 8C5 C27 H34 N6 O3 CONC(=O)C1....
570 2I0Y - 5CN C19 H21 N3 O3 CC1CCN(CC1....
571 3BEA ic50 = 0.003 uM IXH C29 H31 N7 O2 C[C@H]1CN(....
572 2I1M - 5CN C19 H21 N3 O3 CC1CCN(CC1....
573 3KRJ ic50 = 1 nM KRJ C22 H25 N5 O c1cc(c(cc1....
574 3LCD ic50 = 40 nM BDY C27 H30 Cl2 N6 O c1cc(c(c(c....
575 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
576 5VAM - 92J C28 H29 F3 N4 O4 Cc1c(cc(cn....
577 5JSM ic50 = 260 nM 6NB C52 H48 F4 N6 O10 S2 CCCS(=O)(=....
578 4CQE Kd < 3 nM CQE C30 H28 F3 N5 O3 S2 CC(=O)Nc1c....
579 5VAL - 92D C26 H30 N4 O2 Cc1ccc(cc1....
580 5HID - B1E C27 H25 N5 O2 Cc1ccc(cc1....
581 4XLI Kd = 0.17 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
582 2H8H ic50 = 2.7 nM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
583 4Y93 - 746 C34 H37 N5 O4 Cc1c(cccc1....
584 5DH3 ic50 = 38.1 nM 5BS C17 H16 N6 O3 S2 CN1c2ccsc2....
585 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
586 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 C[C@H](C(C....
587 5LWM ic50 = 9 nM 79T C24 H24 N6 O2 CN(C)C(=O)....
588 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 C[C@@H](C1....
589 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O C[C@@H]1CC....
590 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 C[C@H](C(=....
591 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O C[C@@H](C(....
592 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 C[C@H](C(=....
593 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 C[C@@H](C1....
594 4QT1 ic50 = 7 nM 3C9 C16 H24 N6 O3 S CC(C)CS(=O....
595 5LWN ic50 = 17 nM 79R C25 H26 N6 O2 C[C@@H]1CC....
596 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
597 4CSV Ki = 910 nM STI C29 H31 N7 O Cc1ccc(cc1....
598 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
599 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
600 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
601 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
602 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
603 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
604 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
605 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
606 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
607 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
608 3MJ1 Kd = 2.1 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
609 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
610 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
611 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
612 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
613 4RFM Ki = 0.09 nM 3P6 C25 H27 F2 N5 O3 S C[C@@]12Cc....
614 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
615 4QD6 Ki = 2.3 nM 30T C26 H27 N5 O3 S c1ccc(cc1)....
616 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
617 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
618 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
619 4MF1 Ki = 1.9 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
620 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
621 3MJ2 Kd = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
622 4M0Y Kd = 8.2 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
623 1BYG - STU C28 H26 N4 O3 C[C@@]12[C....
624 4U0I ic50 < 11 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
625 1T46 - STI C29 H31 N7 O Cc1ccc(cc1....
626 3G0E Kd = 20 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
627 4HVS ic50 = 0.016 uM 647 C21 H17 F3 N4 c1cc2c(c[n....
628 1JPA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
629 3PLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
630 2IVS - ACK C10 H12 N5 O6 P c1nc(c2c(n....
631 2X2L ic50 = 5.3 uM X2L C16 H14 N2 O2 COc1ccc(cc....
632 2IVU Ki = 375 nM ZD6 C22 H24 Br F N4 O2 CN1CCC(CC1....
633 4CKJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
634 2X2M ic50 = 0.17 uM X2M C15 H14 N2 O Cc1cc([nH]....
635 2IVV - PP1 C16 H19 N5 Cc1ccc(cc1....
636 4CKI - ADN C10 H13 N5 O4 c1nc(c2c(n....
637 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
638 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
639 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
640 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
641 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
642 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
643 2OFU ic50 ~ 3 uM 1N9 C37 H46 N6 O7 Cc1cccc(c1....
644 2OF2 ic50 = 0.081 uM 547 C25 H26 N4 O c1ccc(cc1)....
645 3BYS ic50 = 0.5 nM AM5 C31 H30 F3 N7 O2 Cc1ccc(cc1....
646 3B2W ic50 = 0.6 nM 9NH C31 H29 F4 N7 O3 Cc1ccc(cc1....
647 1QPJ - STU C28 H26 N4 O3 C[C@@]12[C....
648 1QPE ic50 = 20 nM PP2 C15 H17 Cl N5 CC(C)(C)n1....
649 3BYU ic50 = 0.8 nM AM6 C32 H32 F3 N7 O2 Cc1ccc(cc1....
650 1QPD - STU C28 H26 N4 O3 C[C@@]12[C....
651 3BYM ic50 = 0.006 uM AM0 C25 H23 N7 O3 COc1cc(cc(....
652 2ZM1 ic50 = 220 nM KSF C18 H13 Cl N4 c1ccc(cc1)....
653 1QPC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
654 2OFV ic50 = 0.2 nM 242 C23 H17 F3 N4 O Cc1ccc(cc1....
655 3KXZ ic50 = 0.035 uM 925 C28 H32 N6 O3 CC1(CC(CC(....
656 3MPM ic50 = 30 nM 5LK C23 H26 N6 O CN1CCN(CC1....
657 3BYO ic50 = 7 nM AM9 C31 H30 N8 O Cc1cccc(c1....
658 2OG8 ic50 = 0.5 nM 1N8 C30 H31 F3 N6 O2 CCN(CC)CC(....
659 4C3F - 7KW C19 H15 N5 c1ccc(cc1)....
660 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
661 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
662 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
663 4ZJJ Kd = 9.9 nM 4OR C24 H29 Cl F N5 O CCN1c2ccc(....
664 5KBR ic50 = 260 nM IPW C22 H20 Cl N5 O c1cc(ccc1C....
665 4ZLO ic50 = 54 uM 4PV C18 H18 F2 N4 CN1CCN(CC1....
666 4ZJI Kd = 340 nM 4OQ C20 H22 Cl F N4 CCN1c2ccc(....
667 5DEY Ki = 3.7 nM 59T C25 H25 Cl N6 O3 Cc1cccc(n1....
668 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
669 4ZY5 Ki = 26 nM 4T5 C17 H25 N7 c1cnc(nc1N....
670 3SLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
671 5CEQ Ki = 0.042 uM 50F C22 H28 N6 O c1cnc(cc1C....
672 5CEP Ki = 0.145 uM 50E C17 H22 F3 N5 CC(C)n1c(c....
673 5CEO Ki < 0.0005 uM 50D C23 H26 F2 N6 O c1cnc(cc1C....
674 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
675 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
676 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
677 4RVT ic50 = 1.9 uM 3XM C17 H19 N O4 CCCCCC(=O)....
678 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
679 2VX1 ic50 = 0.22 uM 7X8 C18 H14 Cl N5 O3 c1cc(cc(c1....
680 2YN8 - STU C28 H26 N4 O3 C[C@@]12[C....
681 2VWV ic50 = 16 uM 7X3 C19 H20 Cl N5 O4 COc1ccc(cc....
682 2VX0 ic50 = 0.58 uM 7X7 C21 H20 Cl N5 O3 c1cc(cc(c1....
683 2X9F ic50 = 0.061 uM X9F C18 H16 N6 O2 S CS(=O)(=O)....
684 2VWU ic50 = 0.35 uM 7X1 C24 H27 Cl N4 O4 COc1cc2c(c....
685 2VWX ic50 = 0.04 uM 7X4 C17 H14 Cl N5 O4 S c1cc(cc(c1....
686 4BB4 - 32W C23 H21 N5 O2 COCCNC(=O)....
687 2VWW ic50 = 0.24 uM 7X2 C20 H19 Cl N4 O5 COc1cc(cc(....
688 2XVD ic50 = 0.002 uM AS6 C26 H33 N5 O4 S Cc1ccc(cc1....
689 2VWZ ic50 = 0.794 uM 7X6 C18 H16 Cl N5 O4 S CS(=O)(=O)....
690 2VWY ic50 = 0.09 uM 7X5 C18 H15 Cl N4 O4 S CS(=O)(=O)....
691 4AW5 ic50 = 765 nM 30K C30 H31 N5 O2 CCN1CCC(CC....
692 3ZEW - STU C28 H26 N4 O3 C[C@@]12[C....
693 4QRC - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
694 4TYJ - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
695 4UXQ Kd = 16 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
696 5JKG ic50 < 6.4 nM 6LF C21 H19 Cl2 N5 O2 C[C@H](c1c....
697 4AT4 ic50 = 0.012 uM T6E C20 H13 F4 N5 O S c1cc(ccc1c....
698 4AT3 ic50 = 0.004 uM LTI C16 H18 N4 O2 S2 c1ccc2c(c1....
699 4AT5 ic50 = 0.038 uM MUJ C20 H22 N4 O3 COc1ccc(cc....
700 4UXL Ki < 0.025 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
701 3ZBF Ki = 2.1 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
702 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
703 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
704 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
705 2P4I ic50 = 317 nM MR9 C29 H27 F3 N6 O3 Cc1ccc(cc1....
706 4X3J - 3WR C21 H14 F4 N6 O2 c1cc(ccc1N....
707 2OO8 ic50 = 1 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
708 5MJA ic50 = 220 nM 7O3 C16 H12 Cl2 N4 O2 c1cc2c(cc1....
709 3QUP ic50 = 0.476 uM LUN C25 H27 F N4 O c1ccc2c(c1....
710 4FEQ ic50 = 1.1 uM 0T8 C24 H33 N7 O2 c1cnccc1CC....
711 4FF8 ic50 = 0.4 uM 14S C25 H34 N6 O3 COc1ccccc1....
712 4IBM ic50 = 1.8 uM IR1 C18 H10 N6 O c1ccc(cc1)....
713 5HHW - 60O C26 H33 N5 O2 c1cc(cc(c1....
714 1I44 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
715 3EKK ic50 = 2 nM GS2 C27 H27 F N8 O3 CNC(=O)c1c....
716 4XLV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
717 5E1S Kd = 12 nM 5JA C29 H37 N9 O C[C@@H]1Cc....
718 3EKN ic50 = 2 nM GS3 C27 H31 F N8 O2 CC(C)N1CCN....
719 5A6N ic50 = 2.1 uM U7E C7 H7 N5 O2 S c1cc(cc(c1....
720 4K33 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
721 2HK5 ic50 = 46 nM 1BM C24 H29 N7 O CCN(CC)CCN....
722 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
723 2UV2 - GVD C22 H19 N7 c1ccc2c(c1....
724 2JFL - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
725 3AQV - TAK C24 H25 N5 O c1cc(ccc1c....
726 2XYU ic50 = 4.5 uM Q9G C17 H17 F N4 Cc1ccc(cc1....
727 2Y6O ic50 = 25 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
728 5HES ic50 = 4 nM 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STI; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 STI 1 1
2 MPZ 0.72549 0.945455
3 PRC 0.666667 0.642857
4 G6G 0.515625 0.887097
5 406 0.461538 0.828125
6 NIL 0.456693 0.66129
7 45Q 0.401709 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BKJ; Ligand: STI; Similar sites found: 256
This union binding pocket(no: 1) in the query (biounit: 4bkj.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LQV ADE 0.04006 0.40434 None
2 5D9G GLU ASN LEU TYR PHE GLN 0.01634 0.41374 1.21951
3 5KJW 53C 0.01511 0.42176 1.26984
4 4XWM CBI 0.02403 0.40924 1.26984
5 4DFU QUE 0.004647 0.44664 1.5873
6 1MJT ITU 0.004543 0.42215 1.5873
7 1A05 IPM 0.03045 0.40506 1.5873
8 3WVR AMP 0.002778 0.43856 1.90476
9 4WOE ADP 0.0144 0.4236 1.90476
10 3NZ1 3NY 0.02181 0.40796 1.91571
11 5H9Q TD2 0.006725 0.43365 1.93548
12 1W1A NDG 0.0255 0.40776 1.94553
13 1CKM GTP 0.007831 0.43001 2.22222
14 2IF8 ADP 0.0103 0.42861 2.22222
15 3DRW AMP 0.01324 0.41418 2.22222
16 1I7L ATP 0.003203 0.41027 2.26537
17 4RDL FUC GAL NDG FUC 0.0002742 0.51458 2.27273
18 4ZGP ADP 0.01048 0.40768 2.38908
19 3ZJX BOG 0.01665 0.42088 2.42215
20 3A9B BGC 0.02349 0.40567 2.53968
21 2VPQ ANP 0.002354 0.40453 2.53968
22 4R78 AMP 0.000135 0.51941 2.589
23 1W2D ADP 0.00792 0.42527 2.64151
24 2YRX AMP 0.0078 0.4376 2.85714
25 2VQD AP2 0.002303 0.42635 2.85714
26 4OCJ NDG 0.004432 0.41614 2.85714
27 5F2T PLM 0.0119 0.40512 2.92208
28 3VOT ADP 0.0005119 0.48412 3.1746
29 2OS2 OGA 0.008216 0.43742 3.1746
30 2Q8E OGA 0.008339 0.43713 3.1746
31 2YBP 2HG 0.008693 0.43619 3.1746
32 3ORQ ADP 0.003414 0.41895 3.1746
33 5KR7 6X9 0.01266 0.41514 3.1746
34 5VZ0 ADP 0.0005052 0.4039 3.1746
35 4K55 H6P 0.0002955 0.52859 3.22581
36 4JGP PYR 0.0213 0.41415 3.22581
37 2PUL ACP 0.001099 0.4529 3.49206
38 1NT4 G1P 0.01868 0.41996 3.49206
39 4XYM A12 0.004918 0.4155 3.49206
40 3HAV ATP 0.0000985 0.53862 3.67893
41 3I0O ADP 0.001803 0.45708 3.80952
42 3B6R CRN 0.007095 0.417 3.80952
43 3JU6 ANP 0.02273 0.41059 3.80952
44 3AKK ADP 0.01061 0.40071 3.80952
45 2HZQ STR 0.02816 0.4083 4.02299
46 3WDX BGC BGC BGC 0.005751 0.41249 4.02685
47 3WDX BGC BGC GLC 0.008931 0.40084 4.02685
48 3X01 AMP 0.004263 0.45039 4.12698
49 5U98 1KX 0.009983 0.41751 4.33213
50 4XMF HSM 0.004684 0.42477 4.34783
51 4OUC 5ID 0.0005884 0.47035 4.44444
52 3OPT AKG 0.004558 0.44848 4.44444
53 4O1P ANP 0.0007311 0.40561 4.44444
54 4N14 WR7 0.02654 0.40434 4.44444
55 3SK2 GRI 0.03247 0.40336 4.54545
56 4N7C AEF 0.02584 0.40102 4.54545
57 4CS9 AMP 0.02227 0.41271 4.7619
58 4CYI ATP 0.0009067 0.41125 4.7619
59 3T4L ZEA 0.005833 0.41574 4.81482
60 1IA9 ANP 0.00131 0.4409 5
61 1ZP9 ATP 0.00208 0.44449 5.03876
62 4CC6 L5Y 0.001314 0.46934 5.07937
63 4FFG 0U8 0.02733 0.40486 5.07937
64 2HK9 SKM 0.02486 0.40979 5.09091
65 2V2G BEZ 0.02341 0.40988 5.15021
66 2PYW ADP 0.001388 0.40619 5.39683
67 3RE4 TO1 0.0003557 0.49193 5.42636
68 1TZD ADP 0.01171 0.42609 5.45455
69 3HP9 CF1 0.01008 0.43076 5.71429
70 2G30 ALA ALA PHE 0.0001432 0.51203 5.81395
71 3PNA CMP 0.02221 0.40692 5.84416
72 3VPC ADP 0.005374 0.40717 6.02837
73 4AZT LY2 0.01857 0.40687 6.03175
74 1MAI I3P 0.01397 0.40816 6.10687
75 2OX9 GAL NAG FUC 0.01326 0.44047 6.42857
76 2CFM AMP 0.001029 0.46913 6.66667
77 2PNC CLU 0.01379 0.42419 6.66667
78 2MSB NAG BMA MAN MAN MAN MAN MAN 0.03422 0.41698 6.95652
79 4U98 ACP 0.00136 0.44864 6.98413
80 1PK8 ATP 0.002158 0.41412 6.98413
81 4YVN EBS 0.02112 0.41259 6.98413
82 4LH7 1X8 0.0003528 0.50755 7.30159
83 4UWH JXM 0.00435 0.42937 7.30159
84 2QX0 PH2 0.003714 0.44994 7.54717
85 4OAV ACP 0.0005173 0.46798 7.93651
86 2YFB SIN 0.01957 0.40005 8.13953
87 4F9C 0SX 0.00004123 0.44321 8.25397
88 4BTK DTQ 0.0005558 0.41113 8.25397
89 5DMM HCS 0.03407 0.40001 8.3871
90 4NFN 2KC 0.000003151 0.57007 8.41424
91 4BKS X6C 0.03141 0.40358 8.65385
92 3TII ANP 0.008235 0.42443 8.88889
93 5C1P ADP 0.002062 0.4493 9.15033
94 5I35 ANP 0.0005427 0.46702 9.52381
95 4KBA 1QM 0.00003757 0.47027 10.1587
96 5W4W 9WG 0.00007842 0.44035 10.1587
97 4NOS ITU 0.02244 0.40669 10.4762
98 1SQL GUN 0.03239 0.40484 11.6438
99 1Q8A HCS 0.01531 0.42053 12.6984
100 3CYI ATP 0.01618 0.4211 12.7273
101 5KEW 6SB 0.003752 0.45532 12.766
102 4Y8D 49J 0.000001179 0.58237 13.3333
103 5N87 N66 0.000286 0.4058 13.4185
104 5VCV 1N1 0.0000007642 0.55799 13.5048
105 2WU6 DKI 0.00005353 0.48731 13.6508
106 2PZI AXX 0.001356 0.45809 13.6508
107 5TA6 79D 0.0003523 0.43288 14.2857
108 3Q60 ATP 0.005814 0.41951 14.2857
109 3M2W L8I 0.0003022 0.40702 14.3813
110 1Q8Y ADE 0.00001504 0.42767 14.6032
111 5LI1 ANP 0.001625 0.40747 14.6032
112 4DC2 ADE 0.00002615 0.40183 14.6032
113 1Q8Y ADP 0.001928 0.40048 14.6032
114 5AWM ANP 0.000009108 0.57056 15.2381
115 4RPM HXC 0.03138 0.40321 15.2709
116 4YLL 4E3 0.0008494 0.42264 15.5556
117 4IJP 1EH 0.0008675 0.41292 15.5556
118 1YRO UDP 0.003748 0.44901 16.2602
119 4YZC STU 0.0000009543 0.56864 16.5079
120 4GYI ADP 0.003089 0.44082 16.5079
121 3FHR P4O 0.001789 0.43492 16.5079
122 5GZ9 ANP 0.001103 0.41723 17.0492
123 2CBO TH2 0.02106 0.41443 17.3913
124 3HMO STU 0.0001336 0.49509 18.4127
125 5LI9 ACP 0.0004217 0.46264 18.4127
126 4N70 2HX 0.0005568 0.46416 19.3651
127 2A19 ANP 0.0008228 0.47393 19.3662
128 3CY2 MB9 0.00009896 0.47622 19.4268
129 4D2S DYK 0.0001532 0.41661 20.7746
130 3H9R TAK 0.00006478 0.53557 20.9524
131 4JR7 GNP 0.0001299 0.4903 20.9524
132 5MY8 RXZ 0.0005294 0.43855 20.9524
133 2W58 ADP 0.03148 0.40909 21.2871
134 4OCV ANP 0.002206 0.4309 21.5873
135 5M06 ADP 0.0002317 0.48943 21.7391
136 5VC5 96M 0.00001 0.51171 23.1834
137 3C0G 3AM 0.0001303 0.50716 23.4921
138 1ZY5 ANP 0.0002661 0.41507 23.7624
139 4XH0 ADP 0.00006752 0.54589 24.4444
140 4EUU BX7 0.0006935 0.42807 24.4444
141 1PHK ATP 0.0005039 0.41469 25.1678
142 5LXC 7AA 0.00002673 0.44081 25.3968
143 4IZY 1J2 0.00001008 0.52838 25.7143
144 3TTI KBI 0.00002098 0.48016 25.7143
145 3PTG 932 0.00006057 0.41586 25.7143
146 1OUK 084 0.0000003176 0.64832 26.0317
147 3GNI ATP 0.001637 0.43277 26.0317
148 3GC8 B45 0.000001674 0.55583 26.3492
149 4LOO SB4 0.000001266 0.49928 26.6667
150 2PVN P63 0.0005771 0.42106 26.7045
151 4IDT T28 0.000653 0.46332 27.3016
152 1CM8 ANP 0.0001518 0.42277 27.619
153 4AUA 4AU 0.0001238 0.4966 28.013
154 2QLU ADE 0.000004454 0.6118 28.02