Receptor
PDB id Resolution Class Description Source Keywords
4ASE 1.83 Å EC: 2.7.10.1 CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) HOMO SAPIENS TRANSFERASE ANGIOGENESIS SIGNALING PROTEIN PHOSPHORYLATIORECEPTOR INHIBITOR
Ref.: MOLECULAR CONFORMATIONS, INTERACTIONS, AND PROPERTI ASSOCIATED WITH DRUG EFFICIENCY AND CLINICAL PERFOR AMONG VEGFR TK INHIBITORS. PROC.NATL.ACAD.SCI.USA V. 109 18281 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AV9 A:3169;
 Valid;
 none;
 Ki = 0.01 nM
454.863 C22 H19 Cl N4 O5 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ASE 1.83 Å EC: 2.7.10.1 CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) HOMO SAPIENS TRANSFERASE ANGIOGENESIS SIGNALING PROTEIN PHOSPHORYLATIORECEPTOR INHIBITOR
Ref.: MOLECULAR CONFORMATIONS, INTERACTIONS, AND PROPERTI ASSOCIATED WITH DRUG EFFICIENCY AND CLINICAL PERFOR AMONG VEGFR TK INHIBITORS. PROC.NATL.ACAD.SCI.USA V. 109 18281 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
2 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
3 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
2 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
3 6GQO - F82 C25 H27 N5 O5 CC(C)n1cc(....
4 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
5 6GQQ - F8B C23 H24 N6 O4 CC(C)c1cn(....
6 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
7 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
8 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
9 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
10 6GQL - F8B C23 H24 N6 O4 CC(C)c1cn(....
50% Homology Family (765)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
19 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
20 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
21 5HU9 ic50 = 25 nM 66K C32 H36 F3 N5 O3 Cc1ccc(cc1....
22 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
23 6BL8 - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
24 3PYY - 3YY C18 H13 F N4 O2 c1ccc(cc1)....
25 1OPJ - MYR C14 H28 O2 CCCCCCCCCC....
26 3CS9 ic50 < 33 uM NIL C28 H22 F3 N7 O Cc1ccc(cc1....
27 3MSS - STI C29 H31 N7 O Cc1ccc(cc1....
28 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
29 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
30 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
31 4WA9 Ki = 3800 pM AXI C22 H18 N4 O S CNC(=O)c1c....
32 4XLI Kd = 0.17 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
33 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
34 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
35 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
36 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
37 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
38 6HD4 - FYW C21 H18 F3 N5 O3 c1cc(ccc1N....
39 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
40 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
41 4TWP Ki = 100 pM AXI C22 H18 N4 O S CNC(=O)c1c....
42 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
43 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
44 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
45 6HD6 - FYH C19 H19 F3 N2 O3 c1cc(cc(c1....
46 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
47 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
48 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
49 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
50 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
51 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
52 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
53 5NK3 Kd = 38.02 nM 92Q C22 H22 Cl N5 O2 S Cc1cccc(c1....
54 5NKB Kd = 0.759 nM 8ZT C25 H28 Cl N5 O3 S Cc1cccc(c1....
55 5IA3 Kd = 46 nM P17 C21 H16 Cl2 N4 O S CN1c2c(cnc....
56 5I9V - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
57 5NK8 Kd = 0.229 uM 90Z C27 H32 Cl N5 O3 S Cc1cccc(c1....
58 5I9Z Kd = 9 nM 627 C26 H30 N6 O3 CN1CCN(CC1....
59 5IA5 Kd = 25 nM GV0 C33 H37 F2 N7 O4 CN1CCN(CC1....
60 5I9W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
61 5NK4 Kd = 1.995 nM 90E C23 H22 Cl F2 N5 O2 S Cc1cccc(c1....
62 5IA2 Kd = 19 nM L66 C22 H19 N5 O4 Cc1ccc(cc1....
63 5NKA Kd = 3.47 uM 91H C25 H25 Cl N4 O4 S Cc1cccc(c1....
64 5NKI Kd = 18.62 nM 8ZW C22 H23 Cl N4 O4 S2 Cc1cccc(c1....
65 5NK6 Kd = 0.158 uM 90W C24 H25 Cl N4 O3 S Cc1cccc(c1....
66 5I9X Kd = 30 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
67 6FNG Kd = 73 nM DWT C26 H20 F3 N7 O Cc1ccc(cc1....
68 5NKH Kd = 25.7 nM 8ZQ C29 H29 Cl N6 O2 S Cc1cccc(c1....
69 5IA1 Kd = 530 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
70 5NK2 Kd = 0.182 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
71 5IA0 Kd = 187 nM A5B C27 H20 Cl F N4 O4 COc1cccc(c....
72 5I9Y Kd = 2.8 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
73 5NK9 Kd = 0.724 uM 912 C25 H29 Cl N4 O3 S Cc1cccc(c1....
74 1MQB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
75 5NK5 - 90K C24 H20 Cl N5 O2 S Cc1cccc(c1....
76 5NKG Kd = 20.89 nM 8ZK C25 H28 Cl N5 O2 S CCc1cc(cc(....
77 5NJZ Kd = 16.6 nM 8ZH C23 H24 Cl N5 O2 S Cc1cccc(c1....
78 6FNH - DXK C11 H10 N6 Cn1c2c(cn1....
79 5NKF - 8ZN C24 H23 Cl F3 N5 O2 S Cc1cccc(c1....
80 5NK0 - 91E C23 H26 Cl N5 O2 S Cc1cccc(c1....
81 5NKE - 90B C23 H23 Br Cl N5 O2 S Cc1cccc(c1....
82 5NK7 Kd = 0.467 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
83 5NK1 - 90N C22 H19 Cl N8 O2 S Cc1cccc(c1....
84 5NKD Kd = 26.3 nM 91K C24 H23 Cl N4 O4 S Cc1cccc(c1....
85 6FNF Kd = 13 nM DXH C26 H20 F3 N7 O Cc1ccc(cc1....
86 5NKC Kd = 18.62 nM 90T C23 H21 Cl N4 O4 S Cc1cccc(c1....
87 5IA4 Kd = 52 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
88 5VED - STU C28 H26 N4 O3 C[C@@]12[C....
89 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
90 5XVA Ki = 0.051 uM 8FU C18 H20 Cl N7 O Cc1cc(n[nH....
91 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
92 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
93 5BMM Ki = 0.01 uM FUM ALC PFF PPN ORN n/a n/a
94 3G6H ic50 = 4.6 nM G6H C32 H28 F3 N7 O4 Cc1ccc(cc1....
95 4FIC ic50 = 20 uM 0UL C11 H9 N5 c1ccc(cc1)....
96 3DQX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
97 4MXO Kd = 0.73 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
98 3F6X - IHH C22 H19 N7 c1ccc2c(c1....
99 3G6G ic50 = 18 nM G6G C35 H37 N9 O2 Cc1ccc(cc1....
100 3U51 ic50 = 25 uM 08X C38 H49 N9 O7 c1ccc(cc1)....
101 3F3T ic50 = 64.1 uM 1AU C24 H25 N5 O CC(C)(C)c1....
102 3EL8 ic50 = 25 nM PD5 C22 H20 F3 N7 O CC(C)n1c2c....
103 4LGG ic50 = 4 nM VGG C17 H21 N5 Cc1cccc(c1....
104 2OIQ Kd = 42 uM STI C29 H31 N7 O Cc1ccc(cc1....
105 4YBK Kd = 15 nM 4B7 C27 H29 N7 O3 S Cc1nc(cc(n....
106 1YOL - S03 C25 H27 N5 O2 COc1cccc(c....
107 3F3U ic50 < 1 uM 1AW C20 H23 N5 O CC(C)(C)c1....
108 3U4W ic50 = 0.13 uM 08L C36 H46 N8 O8 c1ccc(cc1)....
109 4O2P Ki = 0.2 uM 11V C25 H27 Cl N6 O S c1ccc(cc1)....
110 2BDJ ic50 = 0.00045 uM HET C26 H30 N5 O2 P CP(=O)(C)c....
111 2BDF ic50 = 0.067 uM 24A C20 H28 N6 O5 P2 CCn1cnc2c1....
112 3GEQ - PP2 C15 H17 Cl N5 CC(C)(C)n1....
113 3EN6 ic50 = 0.235 uM KS5 C17 H16 N6 CC(C)n1c2c....
114 3UQG - B5A C11 H16 N6 c1c2c(ncnc....
115 3UQF Ki = 0.2 uM BK5 C20 H21 N5 O CCOc1ccc2c....
116 4U5J ic50 = 2.92 uM RXT C17 H18 N6 c1c[nH]c2c....
117 3G5D ic50 = 0.0004 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
118 3DQW - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
119 5HES ic50 = 4 nM 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
120 4ZSA ic50 = 15 nM 4UT C27 H29 N5 O2 CCN1CCN(CC....
121 5Z0S - 960 C16 H11 Cl N8 O2 S Cn1cc(cn1)....
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 5O4A - 9K8 C19 H20 F N5 O7 S CCc1ccc(cc....
126 5AM7 Kd = 64.5 nM 38O C21 H21 F N6 O CN1CCN(CC1....
127 1FGI - SU1 C17 H16 N2 O3 Cc1c[nH]c(....
128 4V04 Kd = 7.7 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
129 4RWL Kd = 8 nM 3ZC C26 H25 N3 O4 CNC(=O)c1c....
130 4NKS Kd = 69.1 nM 2M2 C20 H21 N7 O Cc1cc(on1)....
131 4F64 ic50 = 63 nM 0S8 C16 H20 Br N7 O2 Cc1cc(on1)....
132 5EW8 - 5SF C25 H30 N6 O2 CC(C)NCCN(....
133 4RWJ Kd = 2 nM 66T C26 H33 N5 O3 C[C@@H]1CN....
134 3RHX ic50 = 0.84 uM 3RH C18 H15 N3 c1ccc(cc1)....
135 4NKA Kd = 447 nM 2K7 C22 H25 N7 O3 Cc1cc(on1)....
136 2FGI Ki = 36.4 nM PD1 C28 H41 N7 O3 CCN(CC)CCC....
137 3C4F ic50 = 1.9 uM C4F C15 H14 N2 O COc1cccc(c....
138 1AGW - SU2 C20 H21 N3 O2 c1ccc2c(c1....
139 5UR1 ic50 = 1.06 nM YY9 C31 H35 Cl2 N7 O4 CN(C)C/C=C....
140 4F65 ic50 = 2.5 nM 0S9 C20 H20 Br N7 O Cc1cc(on1)....
141 5AM6 Kd = 185 nM 38O C21 H21 F N6 O CN1CCN(CC1....
142 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
143 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
144 6GQO - F82 C25 H27 N5 O5 CC(C)n1cc(....
145 3BE2 ic50 = 2 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
146 2P2H ic50 = 68 nM 994 C23 H22 N6 O3 COc1cc(cc(....
147 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
148 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
149 6GQQ - F8B C23 H24 N6 O4 CC(C)c1cn(....
150 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
151 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
152 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
153 3WZE Kd = 33 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
154 1YWN ic50 ~ 0.003 uM LIF C27 H19 F4 N5 O3 COc1ccc(cc....
155 3WZD Kd = 2.1 nM LEV C21 H19 Cl N4 O4 COc1cc2c(c....
156 5EW3 ic50 = 0.0012 uM 5T2 C20 H16 F3 N3 O c1ccc(c(c1....
157 3CJF ic50 = 6.3 nM SAV C21 H22 N6 O3 Cc1c2ccc(c....
158 2QU6 Ki = 3 nM 857 C26 H26 Cl N5 O4 CNC(=O)c1c....
159 3U6J - 03X C29 H25 F N4 O5 CC1=C(C(=O....
160 3EWH ic50 = 69 nM K11 C28 H20 F3 N7 O CNc1nccc(n....
161 2P2I ic50 = 38 nM 608 C24 H20 N4 O2 c1ccc(cc1)....
162 3C7Q ic50 = 21 nM XIN C31 H33 N5 O4 CN1CCN(CC1....
163 6GQP - F88 C23 H23 N5 O4 CCn1cc(cn1....
164 6DKI - GOD C20 H19 F5 N4 O4 CNC(=O)c1c....
165 5JFV ic50 = 6 nM 6K1 C23 H21 Cl N6 O2 CC(C)n1cc(....
166 5KMJ - 6UF C20 H17 N3 O S c1ccc2c(c1....
167 6D1Z - FQM C22 H17 Cl N6 O2 c1ccc(cc1)....
168 6D20 - FQG C26 H23 Cl2 N5 O3 CC(C)(CNC(....
169 4YNE - 4EK C21 H18 F N5 c1ccnc(c1)....
170 5KMK - 6UG C20 H13 F5 N2 O Cc1ccc(c(n....
171 4PMM ic50 = 662 nM 31V C27 H26 N8 O2 Cc1cn(cn1)....
172 4PMP ic50 = 4233 nM 31W C21 H18 F3 N3 O2 S c1cc(cc(c1....
173 5H3Q ic50 = 6 nM 7HF C26 H31 F2 N5 O3 CCOc1c(c(n....
174 6D1Y - FQJ C17 H13 Cl2 N3 O Cc1cc(n(n1....
175 5KMI - 6UE C25 H20 N4 O Cc1ncc(c(n....
176 5KML - 6UH C19 H16 F3 N3 O2 Cc1c(c(no1....
177 4PMT ic50 = 997 nM 31Y C23 H23 N7 O c1cc(cnc1)....
178 5KMM - 6UJ C22 H18 N4 O Cc1ncc(c(n....
179 4YPS - 4F6 C23 H18 F N5 O c1cc(cc(c1....
180 5JFW ic50 = 62 nM 6K2 C24 H20 N6 O2 CC(C)n1cc(....
181 5JFX ic50 = 6 nM 6K4 C23 H22 Cl N7 O3 CC(C)(CO)n....
182 5KMN - 6UK C20 H17 F3 N4 O Cc1ncc(c(n....
183 5JFS ic50 = 2 nM 6K0 C22 H19 F2 N7 O2 CC(C)n1cc(....
184 4F1T - H52 C16 H21 N3 O2 S Cc1cncc2c1....
185 4YZN ic50 = 15.4 uM 4K5 C20 H21 F4 N5 O3 COc1cc(c(c....
186 4F1M - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
187 4F1O - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
188 4F0F - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
189 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
190 2WGJ Ki = 0.002 uM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
191 4DEH ic50 = 612 nM 0JK C21 H17 N5 O c1ccc(cc1)....
192 4IWD ic50 = 1 nM 1JC C29 H28 N6 O3 S c1ccnc(c1)....
193 3F82 ic50 = 3.9 nM 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
194 5YA5 ic50 = 0.19 uM 6TD C19 H15 N5 O S COc1ccc(cc....
195 4XYF - 44X C24 H22 F N5 O3 Cc1cc(on1)....
196 2RFS - AM8 C23 H22 Cl N3 O3 S Cc1c(c([nH....
197 4R1V ic50 = 400 nM 3E8 C29 H28 N6 O2 CN1CCC(CC1....
198 3CTH ic50 = 0.035 uM 319 C20 H16 F2 N4 O3 c1cc(ccc1C....
199 4AOI Ki = 0.004 uM 4K0 C19 H12 N8 c1cc2c(c[n....
200 3DKC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
201 4XMO ic50 = 2 nM 46G C22 H17 F2 N5 O2 Cc1cc(on1)....
202 4R1Y ic50 < 1 nM 3EH C26 H34 N4 O5 S CCN(CC)CCC....
203 4GG5 ic50 = 0.93 nM 0J3 C22 H22 F3 N5 O2 CN1CCN(CC1....
204 4AP7 Ki = 0.011 uM F47 C17 H12 F N5 O c1cc(ccc1C....
205 3Q6W Kd = 27 nM Q6W C31 H30 N6 O2 c1ccnc(c1)....
206 3CD8 ic50 = 9 nM L5G C22 H17 N5 O2 COc1ccc2c(....
207 4EEV ic50 = 42 nM L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
208 3RHK ic50 = 520 nM M97 C23 H16 N3 O2 c1ccc2c(c1....
209 4GG7 ic50 = 6.5 nM 0J8 C23 H21 F3 N8 O2 c1cc(cc(c1....
210 3ZZE Ki = 0.0013 uM 6XP C18 H18 Cl N3 O3 Cc1ccc(c2c....
211 3U6I - 044 C30 H27 F N4 O5 CC1=C(C(=O....
212 4DEI ic50 = 1 nM 0JL C23 H22 N6 O3 S Cc1cc(sn1)....
213 2WD1 ic50 = 82 nM ZZY C14 H10 N4 O5 S c1ccc(c(c1....
214 3CE3 ic50 = 1.8 nM 1FN C25 H16 F2 N4 O3 c1cc(ccc1N....
215 3LQ8 ic50 = 0.4 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
216 3EFK Ki = 14 nM MT4 C28 H22 F2 N4 O4 CN1C(=O)C(....
217 3ZCL Ki = 0.0101 uM 5TF C17 H19 N7 C[C@@H](c1....
218 5UAB - 84M C16 H13 N7 O S c1ccn2c(c1....
219 5UAD - 84P C21 H19 N9 O Cn1cc(cn1)....
220 3ZC5 Ki = 0.0103 uM W9Z C20 H17 N7 C[C@@H](c1....
221 3U6H Ki = 1 nM 03X C29 H25 F N4 O5 CC1=C(C(=O....
222 3ZBX Ki = 0.006 uM 6XE C20 H13 F N6 c1cc2cc(cc....
223 1R0P Kd = 10 nM KSA C27 H21 N3 O5 C[C@@]12[C....
224 5HOR ic50 = 6 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
225 5HO6 ic50 = 204 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
226 3VW8 - DF6 C26 H23 N3 O4 S COc1cc2c(c....
227 3L8V ic50 = 0.008 uM L8V C23 H16 F3 N5 O2 c1cc(c(nc1....
228 5EYD ic50 = 1 nM 5T1 C23 H22 F N7 O3 C[C@H](c1n....
229 4DEG ic50 = 6 nM 0JJ C19 H16 N8 O S Cc1cc(sn1)....
230 5HLW ic50 = 23 nM 62E C26 H28 N8 O S3 CCN1CCC(CC....
231 5HNI ic50 = 10 nM 63B C20 H14 F N7 O2 S COC(=O)Nc1....
232 3R7O - M61 C28 H32 N6 O5 S CN(C[C@@H]....
233 3DKG - SX8 C18 H13 N7 S Cn1cc(cn1)....
234 5EOB ic50 = 0.24 nM 5QQ C20 H11 F3 N6 c1cc2cc(cc....
235 5HOA ic50 = 64 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
236 5UAF - 84P C21 H19 N9 O Cn1cc(cn1)....
237 3ZXZ Ki = 0.005 uM KRW C19 H16 N8 O c1cc2cc(cc....
238 3DKF ic50 = 4 nM SX8 C18 H13 N7 S Cn1cc(cn1)....
239 5EYC ic50 = 3 nM 5SZ C20 H15 F N6 O2 Cc1cc(on1)....
240 3CTJ ic50 = 0.11 uM 320 C22 H16 F2 N4 O3 c1cc(ccc1C....
241 2RFN ic50 = 5 nM AM7 C35 H35 F N4 O5 CN1C(=NC=C....
242 3QTI ic50 = 14 nM 3QT C20 H16 N6 Cn1cc(cn1)....
243 3CCN ic50 = 120 nM LKG C18 H14 N4 O c1ccc(cc1)....
244 3F66 ic50 = 0.9 uM IHX C20 H19 F3 N4 O CN1CCN(CC1....
245 2WKM ic50 = 9 nM PFY C32 H34 Cl2 N4 O4 S Cc1c([nH]c....
246 3I5N ic50 = 17 nM B2D C21 H17 N7 O COc1cc2c(c....
247 4KNB ic50 = 0.047 uM 1RU C23 H22 Cl2 F N5 O2 C[C@H](c1c....
248 3TUC ic50 = 100 nM FPW C29 H24 N4 O5 COc1cc2c(c....
249 4YJQ - 4DK C24 H23 N7 O2 Cc1c(ocn1)....
250 4I0R ic50 = 14 nM 1B4 C19 H22 N4 O4 CC(C)NC(=O....
251 4YJP - 4DL C20 H19 N7 O3 S c1cc2c(cn[....
252 5C27 - GLU VAL TYR GLU SER n/a n/a
253 5LMB ic50 = 16 nM 6ZF C20 H25 N7 CN(C)c1ccc....
254 5TR6 ic50 = 3.2 nM 7KG C17 H21 F N6 O Cn1cc(cn1)....
255 5Y5U ic50 = 17.7 nM 8OU C20 H21 N7 O2 Cn1c2ccc(c....
256 4XG4 ic50 = 21.5 nM X4G C24 H30 F N5 O3 Cc1cc(cc(c....
257 4WNM Ki = 18 nM 3RT C24 H29 N7 O2 c1cc(n2c(c....
258 4YJT - 4DQ C20 H18 F N7 O2 S CCN(c1cccc....
259 4PV0 Kd = 4 nM CG4 C28 H23 N5 O5 COc1ccc(cc....
260 4FYO ic50 = 47 nM 0VF C25 H24 N6 O5 S COc1ccc(cc....
261 5LMA ic50 = 0.25 uM 6ZG C18 H21 N5 Cc1ccc(cc1....
262 5Y5T ic50 = 211 nM 8OR C20 H24 N6 O3 S CS(=O)(=O)....
263 3FQE Ki = 0.02 uM P5C C18 H24 N6 O Cc1cccc(c1....
264 4FYN - 0VE C22 H23 N5 O2 CCN(CCO)c1....
265 4I0T ic50 = 26 nM 1B6 C18 H22 N6 O CC(C)(C)NC....
266 4YJS - 4DN C21 H21 N7 O3 S c1cc2c(cn[....
267 4FL1 Kd = 520 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
268 4RX8 ic50 = 35 nM 3YX C18 H22 N8 O c1cc2cc[nH....
269 5CXZ ic50 = 552 nM 55U C19 H23 N5 CN(C)c1ccc....
270 5TT7 ic50 = 13 nM 7KF C19 H24 N6 O Cc1cccc(c1....
271 5CY3 ic50 = 16 nM 55Y C16 H16 N4 O3 S C[C@H]([C@....
272 3TUD ic50 = 2.1 nM FPX C29 H22 F3 N5 O2 Cc1ccc(cc1....
273 4FZ6 ic50 = 127 nM 0VG C22 H22 N6 C[C@H]1CCC....
274 4YJU - 4DO C19 H16 F N7 O2 S CN(c1cccc2....
275 6HM6 ic50 = 3.16 uM GDK C18 H16 N2 O Cc1ccc(cc1....
276 4XG6 ic50 = 9.7 nM X6G C20 H24 N6 O Cc1cc(cc(c....
277 3VF9 ic50 = 358.2 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
278 3FQH ic50 = 0.57 uM 057 C21 H22 N4 O2 CC(C)(CO)N....
279 3FQS ic50 = 0.041 uM 585 C22 H23 F N6 O5 CC1(C(=O)N....
280 4DFL ic50 = 2.4 uM 0K0 C18 H24 N6 O3 S CS(=O)(=O)....
281 5TIU ic50 = 5 nM 7CU C16 H18 N6 O C[C@@H](CN....
282 1XBC ic50 = 0.012 uM STU C28 H26 N4 O3 C[C@@]12[C....
283 4PUZ ic50 = 7.7 nM CG9 C23 H21 N7 O c1cc(ccc1N....
284 4XG3 ic50 = 17.5 nM X3G C23 H28 F N5 O4 S Cc1cc(cc(c....
285 4XG7 ic50 = 32.6 nM X7G C20 H22 N8 O Cc1c(cn(n1....
286 6HM7 ic50 = 79.4 nM GDH C24 H26 N2 O2 Cc1ccnc(c1....
287 3TUB ic50 = 320 nM FPU C26 H24 N4 O4 COc1cc2c(c....
288 4XG8 ic50 = 1.9 nM X8G C20 H21 Cl N8 O Cc1c(cn(n1....
289 1XBB Ki = 5 uM STI C29 H31 N7 O Cc1ccc(cc1....
290 4F4P ic50 = 0.6 nM 0SB C21 H20 F3 N5 c1cc(cc(c1....
291 4RX7 ic50 = 5 nM 3YV C18 H22 N10 O c1cc(cc(c1....
292 4YJO - 4DF C20 H18 Cl N7 O2 S CCN(c1cccc....
293 4RSS ic50 = 1.7 nM 4MG C23 H27 N7 O Cc1c(n(c2c....
294 5CXH ic50 = 5 nM 55M C20 H21 N3 O4 S C[C@H]([C@....
295 3VF8 ic50 = 150 nM 0JE C17 H21 F N6 O2 CCN(CC)C(=....
296 5C26 ic50 = 0.17 uM 50H C21 H19 N5 O3 COc1ccc(cc....
297 4PX6 ic50 = 4 nM 2X6 C21 H23 N7 O c1cc2cc[nH....
298 4RX9 ic50 = 19 nM 3YT C19 H23 N9 O c1cc(cc(c1....
299 4DFN ic50 = 0.04 uM 0K1 C25 H28 N6 O2 Cn1cc(cn1)....
300 4YJR - 4DJ C22 H22 N8 O Cn1c2ccc(c....
301 4I0S ic50 = 36 nM 1B5 C18 H17 Cl N6 O CC(C)NC(=O....
302 4GK3 - L87 C19 H21 N5 O2 CCCCn1c(cn....
303 3FY2 - LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP n/a n/a
304 4TWO ic50 = 8000 nM 37W C19 H22 N2 O4 S Cc1ccc(cc1....
305 4P4C - 25Q C18 H15 N5 O2 COc1cccc(c....
306 4GK2 - L66 C22 H19 N5 O4 Cc1ccc(cc1....
307 4TWN - B96 C31 H37 N5 O3 Cc1ccc(cc1....
308 2QOQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
309 4GK4 - L90 C20 H21 N7 O2 CCCCn1c(cn....
310 3FXX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
311 2QO7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
312 4P5Q - Q0B C22 H22 Cl N5 O2 CCOCCCNC(=....
313 2QOC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
314 4P5Z Kd = 39.3 nM Q7M C25 H18 F3 N7 O2 c1ccc2c(c1....
315 2QO9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
316 4XV2 ic50 = 0.0054 uM P06 C23 H20 F3 N5 O2 S2 CC(C)(C)c1....
317 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
318 4XV9 ic50 = 0.19 uM 1OO C21 H11 Cl F5 N3 O3 S c1cc(ccc1C....
319 5ITA - 6DC C19 H19 N5 O3 S CCCS(=O)(=....
320 5JRQ - 6N9 C24 H23 F2 N3 O4 S CCCS(Nc1cc....
321 4XV1 ic50 = 0.0042 uM 904 C24 H22 F2 N6 O3 S CCN(C)S(=O....
322 4EWH Ki = 0.0003 uM T77 C26 H29 N5 O S2 CN(C)CCOc1....
323 3EQP - T95 C33 H38 N6 O4 CCOc1ccccc....
324 1U4D - DBQ C11 H11 N5 O2 c1c[nH]c2c....
325 3EQR Ki = 0.002 uM T74 C29 H38 N8 O Cc1cccc(c1....
326 5ZXB ic50 = 8 nM 9KO C33 H32 F3 N9 O3 Cc1ccc(cc1....
327 1U59 ic50 = 55.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
328 5DA3 ic50 = 80 nM 58V C23 H22 Cl N7 O2 c1cc(c(cc1....
329 6CZ4 ic50 = 0.076 uM FKY C24 H23 F4 N5 O4 Cn1cc(nc1)....
330 6CZ3 ic50 = 0.056 uM FLJ C21 H20 F N7 O2 Cc1cn2c(cn....
331 4OTF ic50 = 0.006 uM 2VL C33 H36 N6 O3 S Cc1c(cccc1....
332 5BQ0 ic50 = 15 nM 4US C25 H23 Cl N4 O2 CN1CCN(CC1....
333 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
334 5JRS ic50 = 30 nM 6MV C30 H23 F N4 O3 CC(C)(c1cc....
335 6E4F ic50 = 2.5 nM HRA C25 H23 Cl N4 O4 c1ccc(cc1)....
336 5FBO ic50 = 0.31 nM 5WH C29 H27 F4 N7 O2 C[C@H]1CC[....
337 5KUP ic50 = 7.5 nM 6XL C28 H26 F N7 O3 CC(C)(C)c1....
338 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
339 4NWM ic50 = 0.038 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
340 5P9H - 7G7 C34 H37 F N8 O3 CC(C)(C)c1....
341 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
342 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
343 4ZLY ic50 = 3.5 uM 4RU C9 H8 N4 O c1ccc2c(c1....
344 5U9D ic50 = 0.00055 uM 83P C27 H24 N6 O3 CNC(=O)[C@....
345 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
346 5VGO Ki = 1.28 nM 9B1 C29 H29 N5 O3 S CC1(Cc2c3c....
347 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
348 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
349 5P9G - 7G6 C35 H35 F N6 O3 CN1CCN(CC1....
350 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
351 5VFI Ki = 0.91 nM 9AJ C37 H44 N8 O4 C[C@H]1CN(....
352 5T18 ic50 = 0.5 nM 73T C32 H30 F2 N4 O4 Cc1c(cccc1....
353 5P9I - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
354 4Z3V ic50 = 4 nM 4L6 C17 H14 N6 O Cc1cc2cn[n....
355 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
356 5BPY - 4UQ C33 H40 N6 O4 CC(C)(C)c1....
357 5FBN ic50 = 0.17 nM 5WF C29 H28 F3 N7 O3 CC1(COC1)C....
358 6DI0 - GJG C12 H17 N3 O c1cc(ncc1C....
359 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
360 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
361 4ZLZ ic50 = 100 nM 4RV C15 H13 N5 O Cc1ccncc1c....
362 4Y95 - 746 C34 H37 N5 O4 Cc1c(cccc1....
363 4RX5 ic50 = 3 nM 3YO C27 H24 F N7 O2 S Cc1c(ccc(c....
364 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
365 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
366 5P9F - 2VL C33 H36 N6 O3 S Cc1c(cccc1....
367 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
368 4YMJ ic50 = 83 nM 4EJ C20 H15 N5 c1ccc(cc1)....
369 4QMY ic50 = 0.004 uM STU C28 H26 N4 O3 C[C@@]12[C....
370 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
371 4W8D - 3JA C14 H16 N6 O Cn1cc(cn1)....
372 4QMN ic50 = 0.003 uM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
373 4QMS ic50 = 7.4 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
374 4QMV ic50 = 0.023 uM 34W C23 H25 F3 N6 O2 CC(=O)NCC(....
375 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
376 1OPK - MYR C14 H28 O2 CCCCCCCCCC....
377 5MO4 - NIL C28 H22 F3 N7 O Cc1ccc(cc1....
378 2FO0 - P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
379 3D94 ic50 = 118 nM D94 C30 H31 N7 CN1CCN(CC1....
380 2OJ9 ic50 = 0.39 uM BMI C22 H19 N7 O Cc1cc(cc2c....
381 3I81 ic50 = 13 nM EBI C23 H24 F N9 O C[C@]1(CCC....
382 5HZN ic50 = 0.06 uM 66A C27 H29 N5 O c1ccc(cc1)....
383 4D2R ic50 = 3.3 uM DYK C24 H26 N6 O2 CN1CCC(CC1....
384 3O23 ic50 = 0.5 uM MQY C21 H16 F3 N3 O4 S C[C@H]1C(=....
385 3NW6 ic50 = 7 nM LGW C22 H21 F N8 O c1cc2c(nc(....
386 3NW5 ic50 = 8400 nM LGX C22 H21 F N8 O c1cc2c(nc(....
387 2ZM3 ic50 = 2.42 uM 575 C21 H20 Br N3 O2 c1cc(ccc1C....
388 1JQH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
389 3NW7 ic50 = 5.3 nM LGV C19 H17 F N8 O c1cc2c(nc(....
390 2C0I - L1G C33 H39 N9 O2 Cn1c2ccccc....
391 3VRZ - VRZ C25 H26 N6 O c1ccc(cc1)....
392 1QCF - PP1 C16 H19 N5 Cc1ccc(cc1....
393 5H0B ic50 = 11 nM OOQ C30 H35 N5 O3 CC(C)C[C@@....
394 5H09 ic50 = 1323 nM OOO C32 H39 N5 O3 CCOC(=O)[C....
395 3VS3 - VSE C29 H34 N6 O CN1CCN(CC1....
396 2C0T - L3G C32 H36 N8 O3 Cn1c2ccccc....
397 3VS1 - VSA C24 H24 N6 O c1ccc(cc1)....
398 3VS6 - VSH C20 H26 N6 O3 CC(C)n1c2c....
399 5H0H ic50 = 686 nM OOV C32 H40 N6 O2 CC(C)C[C@@....
400 3VRY ic50 = 7.7 nM B43 C23 H22 N4 O c1ccc(cc1)....
401 5H0G ic50 = 111 nM OOU C31 H38 N6 O2 CC(C)C[C@@....
402 5H0E ic50 = 210 nM OOS C30 H36 N6 O2 CC(C)C[C@@....
403 2SRC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
404 1Y57 ic50 = 1633 nM MPZ C28 H29 N7 O CN1CCN(CC1....
405 6F3F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
406 3BRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
407 5U6C Ki < 0.05 nM 7YS C21 H22 Cl F N6 O3 Cc1c-2c(n(....
408 5TC0 ic50 = 25 nM 79Y C18 H19 N5 O4 S2 CS(=O)(=O)....
409 5K0X ic50 = 4.4 nM K0X C24 H34 F N7 O2 c1cc(ccc1C....
410 2P0C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
411 3W32 ic50 = 75 nM W32 C25 H23 Cl F3 N5 O4 S CS(=O)(=O)....
412 5CAU Ki = 1.6 nM 4ZR C21 H25 F4 N7 O2 C[C@H](c1n....
413 5D41 ic50 = 0.024 uM 57N C19 H15 N3 O2 S c1ccc(cc1)....
414 4I22 - IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
415 2ITV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
416 3POZ ic50 = 23 nM 03P C26 H25 Cl F3 N5 O3 CC(C)(CC(=....
417 5HCY Ki = 1.2 nM 60D C26 H30 N8 O4 S CC(C)n1cc(....
418 5CAP Ki = 52 nM 4ZH C19 H26 N6 O3 S Cc1nc2cnc(....
419 3W33 ic50 = 36 nM W19 C25 H22 Cl N5 O3 S c1cc(c2ccs....
420 2ITN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
421 4RJ8 Ki = 17 nM 3QS C22 H28 N6 O COC1CCN(CC....
422 5CAS Ki = 1.4 nM 4ZQ C21 H25 F4 N7 O2 C[C@H](c1n....
423 5X2F - 7XU C28 H34 N8 CN1CCN(CC1....
424 3VJN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
425 3UG2 Kd = 5.6 nM IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
426 5X2C - 7XR C27 H32 N8 CN1CCN(CC1....
427 5CNN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
428 5CAQ Ki = 2.7 nM 4ZJ C20 H26 F N7 O Cc1nc2cnc(....
429 2RGP ic50 = 0.3 uM HYZ C24 H27 F N8 c1cc(cc(c1....
430 5UGA Ki = 161 nM 8BM C25 H35 N9 O CC(C)n1cnc....
431 5CNO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
432 5C8N Ki = 492 nM 4YX C22 H32 N8 O Cc1nc2cnc(....
433 5X2A - 7XO C25 H30 N8 CC(C)n1c2c....
434 1XKK Ki = 3 nM FMM C29 H26 Cl F N4 O4 S CS(=O)(=O)....
435 3BEL ic50 = 0.014 uM POX C22 H22 F N7 O2 COCCO/N=C/....
436 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
437 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
438 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
439 5CF6 ic50 = 8.2 nM 50O C20 H26 N6 O3 CNc1c2c(c3....
440 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
441 5TQ4 ic50 = 4.2 nM 7GY C16 H15 N3 O2 CCc1cc(ccc....
442 5USY - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
443 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O C[C@@H]1CC....
444 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
445 5CF5 ic50 = 2.5 nM 50W C23 H27 N7 O S CCn1c(cc2c....
446 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
447 4YTC - 4HW C18 H16 N8 c1ccc(cc1)....
448 4E6D Ki = 0.88 nM 0NU C16 H16 N6 O c1c[nH]c2c....
449 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
450 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
451 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
452 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
453 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
454 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
455 5CF8 ic50 = 1.1 nM 50V C23 H28 N8 O CCn1c(cc2c....
456 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
457 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
458 4BBF ic50 = 2.2 nM O19 C25 H28 N6 O2 c1cc(ccc1c....
459 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
460 6AAJ - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
461 5WEV Ki = 0.15 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
462 4E6Q Ki = 4.56 nM 0NV C20 H21 N5 c1ccc(cc1)....
463 5TQ5 ic50 = 58.8 nM 7GX C22 H20 N4 O2 CCc1cc(ccc....
464 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
465 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
466 5TQ6 ic50 = 123.6 nM 7GV C18 H26 N6 O C[C@@H]1CC....
467 4YTF Ki = 0.007 uM 4HZ C16 H13 Cl F4 N6 O C[C@@H](C(....
468 5AEP ic50 = 0.068 uM QUP C18 H14 Cl N5 O Cc1ccc(cc1....
469 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
470 6BBV ic50 = 0.803 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
471 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
472 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
473 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
474 5TQ8 ic50 = 23.1 nM 7GS C31 H31 F N8 O2 CCc1cc(c(c....
475 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
476 4YTH Ki = 0.002 uM 467 C17 H15 Cl F4 N6 O CC(C)(C(=O....
477 4IVA - 1J5 C17 H19 N5 O C[C@H](c1n....
478 4BBE ic50 = 3.6 nM 3O4 C22 H23 N5 O2 CC(=O)Nc1c....
479 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 C[C@@H](c1....
480 5CF4 ic50 = 40 nM 50Y C22 H30 N6 O2 CCn1c(cc2c....
481 5L3A Kd = 13 uM 6DP C8 H9 N3 O2 S CS(=O)(=O)....
482 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
483 4F09 Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
484 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
485 5TQ7 - 7GT C24 H30 N6 O3 S C[C@@H]1CC....
486 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
487 5AAA Ki = 0.38 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
488 4CLJ Ki = 0.1 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
489 4CMO Ki = 0.85 nM YPW C20 H20 F N5 O3 C[C@H](c1c....
490 5AA8 Ki = 8.6 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
491 3LCS - STU C28 H26 N4 O3 C[C@@]12[C....
492 4CCU - AWF C22 H23 F N6 O2 S Cc1c(sc(n1....
493 5IUH ic50 = 402 nM 34Y C30 H36 N8 O3 Cc1cc(ccc1....
494 2XB7 Ki = 0.65 nM GUI C30 H40 Cl N7 O3 S CC(C)S(=O)....
495 4CCB - OFG C19 H18 F N7 O Cc1c(c[nH]....
496 4CTC - J99 C23 H24 F N5 O2 C[C@@H]1c2....
497 4FOD ic50 = 0.0012 uM 0UV C33 H44 F N5 O3 CC(C)NC(=O....
498 4DCE ic50 = 0.174 uM 0JF C27 H33 N5 O4 Cc1ccc(cc1....
499 5AAC Ki = 1.3 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
500 5IUI - 45Q C23 H28 N6 O Cc1cc(ccc1....
501 5IMX - CZ4 C27 H38 Cl N7 O3 S Cc1cc(c(cc....
502 4ANQ ic50 = 605 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
503 4Z55 ic50 = 13 nM 4LO C30 H39 N7 O3 S Cc1cc(c(cc....
504 5A9U Ki = 0.08 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
505 4FOB ic50 = 0.005 uM 0US C30 H39 N5 O4 S C=CCNS(=O)....
506 5FTQ ic50 = 0.01 uM U4W C32 H36 F2 N6 O2 CN1CCN(CC1....
507 3AOX Kd = 2.4 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
508 4CD0 Ki = 0.2 nM AWJ C22 H25 F N6 O3 S Cc1c(sc(n1....
509 5AA9 Ki = 6.4 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
510 3LCT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
511 2XBA Ki = 23.68 nM 571 C25 H27 N6 O3 CN1CCN(CC1....
512 5IUG ic50 = 177 nM 729 C31 H38 N8 O3 Cc1cc(ccc1....
513 4MKC - 4MK C28 H36 Cl N5 O3 S Cc1cc(c(cc....
514 4CTB - KVC C23 H18 F N7 O2 C[C@@H]1c2....
515 5AAB Ki = 0.88 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
516 2XP2 - VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
517 4CLI Ki < 0.07 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
518 4CMT Ki < 0.2 nM GWH C22 H22 F N5 O3 S C[C@H](c1c....
519 4FOC ic50 = 0.003 uM 0UU C28 H34 N4 O3 COC(=O)C1C....
520 4CNH Ki = 4 nM 3U9 C17 H18 F N5 O2 C[C@H](c1c....
521 4FNY ic50 = 0.256 uM I3K C24 H18 Cl N3 O4 COc1cc2c(c....
522 5KZ0 Ki = 22 nM 6YL C21 H24 F N5 O2 Cc1c(cn(n1....
523 6MX8 ic50 = 0.37 nM 6GY C29 H39 Cl N7 O2 P CN1CCN(CC1....
524 4CMU Ki < 0.2 nM IV7 C21 H22 F N5 O2 Cc1c-2c(n(....
525 5FTO ic50 = 0.012 uM YMX C31 H34 F2 N6 O2 CN1CCN(CC1....
526 1MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
527 2JKK ic50 = 6.24 nM BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
528 4K9Y Kd = 0.111 uM K9Y C26 H27 N9 O Cc1ccc(cc1....
529 4Q9S ic50 = 156 uM 30G C10 H9 N3 O2 c1ccc2c(c1....
530 4D5H - 9RM C11 H9 F3 N4 O CC1=C(NC(=....
531 4D4V - KB8 C15 H16 F3 N3 Cc1ccc2c(c....
532 4GU6 Kd = 44 nM 10N C22 H20 N6 O2 S CN(c1c(ccc....
533 4KAO Kd = 0.77 uM KAO C26 H27 N5 O Cc1ccc(cc1....
534 2JKM ic50 = 17.76 nM BII C25 H32 Cl N7 O3 S CC(C)NS(=O....
535 3BZ3 ic50 = 1.5 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
536 4GU9 Kd = 43 uM 4GU C11 H8 F N5 c1ccc(c(c1....
537 4EBV ic50 = 0.99 uM 0O7 C18 H17 N3 O2 S CCc1ccc(cc....
538 2JKO ic50 = 7.7 nM BIJ C25 H28 Cl N7 O2 CN1CCN(CC1....
539 4I4E ic50 = 0.5 uM 1BQ C24 H26 N4 O4 S CN1c2ccc(c....
540 2J0L - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
541 4I4F ic50 = 0.64 uM 1BR C22 H26 N4 O2 S CC(C)(C)c1....
542 4BRX ic50 = 0.32 uM KGW C22 H25 N7 O3 CNC(=O)c1c....
543 4D4S - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
544 4D58 - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
545 4C7T ic50 = 0.14 uM 5RI C20 H22 N6 O4 CNC(=O)c1c....
546 4IVB Ki = 1.9 nM 1J5 C17 H19 N5 O C[C@H](c1n....
547 4EI4 Ki = 1.8 nM 0Q2 C15 H18 N4 O Cc1nc2cnc3....
548 4IVC Ki = 0.1 nM 1J6 C18 H21 N5 O C[C@H](c1n....
549 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O C[C@@H]1CC....
550 4K77 Ki = 235 nM 1Q4 C13 H16 N4 O c1nc2c(c(n....
551 4EHZ Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
552 5WO4 ic50 = 0.1 nM B7V C17 H18 Cl N5 O3 COc1cc(ccc....
553 6DBN ic50 = 17 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
554 4I5C Ki = 1.5 nM C5I C15 H15 N7 O c1c[nH]c2c....
555 4IVD Ki = 0.3 nM 15T C19 H23 N5 O C[C@H](c1n....
556 5E1E ic50 = 0.022 uM 5JG C20 H23 Cl F N5 O2 COc1cc(c(c....
557 4E5W Ki = 22 nM 0NT C21 H28 N6 O CC(C)N1CCC....
558 6BBU ic50 = 0.029 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
559 5HX8 ic50 = 0.1 nM 66P C18 H21 N5 O c1ccc2c(c1....
560 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
561 4E4N Ki = 0.9 nM 0NL C18 H23 N5 O2 CC(C)(C)OC....
562 6AAH - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
563 4E4L Ki = 1.7 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
564 4FK6 Ki = 0.2 nM 0UJ C17 H21 N5 O2 S CS(=O)(=O)....
565 4E1Z - 0MX C24 H17 Cl N4 O4 S c1cc(cc(c1....
566 4GFO Ki = 0.24 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
567 4GJ3 Ki = 1.4 nM 0XP C17 H11 Cl2 F N4 O2 c1cnc(cc1N....
568 4GII Ki = 1.8 nM 0X6 C17 H12 Cl2 N4 O2 c1cnc(cc1N....
569 6AAM - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
570 3NYX Ki = 32 nM TZ1 C16 H9 Cl N4 O S3 c1cc(sc1)C....
571 4GVJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
572 6DBM ic50 = 23 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
573 3NZ0 - IZA C18 H16 F N3 O CC(C)(C)c1....
574 4GJ2 Ki = 2.5 nM 0XH C16 H12 Cl2 F N3 O2 c1cc(c(c(c....
575 6DBK ic50 = 23 nM G5D C21 H23 N7 O2 CCNC(=O)c1....
576 3LXP - IZA C18 H16 F N3 O CC(C)(C)c1....
577 5WAL Ki = 0.0017 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
578 4GIH Ki = 0.0048 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
579 3C1X ic50 = 0.045 uM CKK C27 H27 F2 N7 O3 c1cc(ccc1C....
580 3LXN Ki = 4.4 nM MI1 C16 H20 N6 O C[C@@H]1CC....
581 4PY1 - 2YK C17 H16 N6 O2 S Cn1cc(cn1)....
582 4H1J ic50 = 1200 nM 0YH C26 H30 N6 O2 Cc1ccc(cc1....
583 3FZT ic50 = 637 nM 4JZ C24 H27 N7 O2 Cc1ccc(cc1....
584 3H3C ic50 = 140 nM P1E C19 H25 F3 N6 O2 S CNS(=O)(=O....
585 4H1M ic50 = 78 nM 0YJ C27 H32 N6 O2 Cc1ccc(cc1....
586 5TOB ic50 = 13 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
587 5TO8 ic50 = 3.1 nM 7FM C25 H26 F3 N7 O3 S CS(=O)(=O)....
588 3FZP - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
589 3FZS ic50 = 1.5 uM B96 C31 H37 N5 O3 Cc1ccc(cc1....
590 5FDP ic50 = 309 nM 5WR C28 H31 F3 N6 O C[C@@H]1CN....
591 6FIO ic50 = 0.03 uM DJH C25 H24 F3 N5 O3 Cc1cccc2c1....
592 6FIN - DJQ C27 H27 N7 O3 c1ccc(cc1)....
593 6FEW ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
594 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
595 4BKJ ic50 = 41 nM STI C29 H31 N7 O Cc1ccc(cc1....
596 6FIM ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
597 6FEX ic50 = 0.029 uM D6Z C23 H20 Br F3 N6 O3 c1cc2c(c(c....
598 5BVN - 4VD C23 H20 F N5 O2 Cc1ccc(cc1....
599 6GWR ic50 = 9.4 nM FEW C31 H31 F3 N6 O CC(C)c1ccc....
600 6FIL ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
601 5BVK - 4VC C13 H12 Cl N3 O c1ccc(c(c1....
602 5BVO - 4VE C24 H20 F N5 O2 Cc1ccc(cc1....
603 6FIQ - DJW C27 H27 F3 N6 O4 COc1ccc2c(....
604 5BVW - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
605 3ZOS - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
606 3KRL ic50 = 0.8 nM KRL C22 H27 N5 O2 CN1CCN(CC1....
607 3DPK ic50 = 4.1 nM 8C5 C27 H34 N6 O3 CONC(=O)C1....
608 2I0Y - 5CN C19 H21 N3 O3 CC1CCN(CC1....
609 3BEA ic50 = 0.003 uM IXH C29 H31 N7 O2 C[C@H]1CN(....
610 2I1M - 5CN C19 H21 N3 O3 CC1CCN(CC1....
611 3KRJ ic50 = 1 nM KRJ C22 H25 N5 O c1cc(c(cc1....
612 3LCD ic50 = 40 nM BDY C27 H30 Cl2 N6 O c1cc(c(c(c....
613 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
614 5VAM - 92J C28 H29 F3 N4 O4 Cc1c(cc(cn....
615 5JSM ic50 = 260 nM 6NB C52 H48 F4 N6 O10 S2 CCCS(=O)(=....
616 4CQE Kd < 3 nM CQE C30 H28 F3 N5 O3 S2 CC(=O)Nc1c....
617 5VAL - 92D C26 H30 N4 O2 Cc1ccc(cc1....
618 5HID - B1E C27 H25 N5 O2 Cc1ccc(cc1....
619 2H8H ic50 = 2.7 nM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
620 4Y93 - 746 C34 H37 N5 O4 Cc1c(cccc1....
621 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
622 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 C[C@H](C(C....
623 5LWM ic50 = 9 nM 79T C24 H24 N6 O2 CN(C)C(=O)....
624 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 C[C@@H](C1....
625 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O C[C@@H]1CC....
626 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 C[C@H](C(=....
627 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O C[C@@H](C(....
628 6GLB ic50 = 129 nM F48 C21 H21 N5 O c1cc(oc1CC....
629 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 C[C@H](C(=....
630 6DB3 ic50 = 56 nM G54 C17 H15 N5 C[C@@]1(CC....
631 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 C[C@@H](C1....
632 4QT1 ic50 = 7 nM 3C9 C16 H24 N6 O3 S CC(C)CS(=O....
633 5LWN ic50 = 17 nM 79R C25 H26 N6 O2 C[C@@H]1CC....
634 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
635 6GL9 ic50 = 135 nM F3W C23 H21 N5 c1cc(cc(c1....
636 6GLA ic50 = 27 nM F4B C21 H19 N5 O c1cc(oc1/C....
637 4CSV Ki = 910 nM STI C29 H31 N7 O Cc1ccc(cc1....
638 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
639 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
640 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
641 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
642 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
643 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
644 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
645 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
646 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
647 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
648 3MJ1 Kd = 2.1 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
649 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
650 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
651 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
652 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
653 4RFM Ki = 0.09 nM 3P6 C25 H27 F2 N5 O3 S C[C@@]12Cc....
654 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
655 4QD6 Ki = 2.3 nM 30T C26 H27 N5 O3 S c1ccc(cc1)....
656 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
657 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
658 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
659 4MF1 Ki = 1.9 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
660 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
661 3MJ2 Kd = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
662 4M0Y Kd = 8.2 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
663 1BYG - STU C28 H26 N4 O3 C[C@@]12[C....
664 4U0I ic50 < 11 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
665 1T46 - STI C29 H31 N7 O Cc1ccc(cc1....
666 3G0E Kd = 20 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
667 4HVS ic50 = 0.016 uM 647 C21 H17 F3 N4 c1cc2c(c[n....
668 1JPA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
669 3PLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
670 2IVS - ACK C10 H12 N5 O6 P c1nc(c2c(n....
671 2X2L ic50 = 5.3 uM X2L C16 H14 N2 O2 COc1ccc(cc....
672 6FEK - ADN C10 H13 N5 O4 c1nc(c2c(n....
673 2IVU Ki = 375 nM ZD6 C22 H24 Br F N4 O2 CN1CCC(CC1....
674 4CKJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
675 2X2M ic50 = 0.17 uM X2M C15 H14 N2 O Cc1cc([nH]....
676 2IVV - PP1 C16 H19 N5 Cc1ccc(cc1....
677 4CKI - ADN C10 H13 N5 O4 c1nc(c2c(n....
678 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
679 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
680 6GQJ - F82 C25 H27 N5 O5 CC(C)n1cc(....
681 6GQM - F8H C24 H26 F N7 O3 CC(C)c1cn(....
682 6GQL - F8B C23 H24 N6 O4 CC(C)c1cn(....
683 6GQK - F88 C23 H23 N5 O4 CCn1cc(cn1....
684 6FNM - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
685 2VX1 ic50 = 0.22 uM 7X8 C18 H14 Cl N5 O3 c1cc(cc(c1....
686 6FNI Kd = 6 nM DXH C26 H20 F3 N7 O Cc1ccc(cc1....
687 2YN8 - STU C28 H26 N4 O3 C[C@@]12[C....
688 2VWV ic50 = 16 uM 7X3 C19 H20 Cl N5 O4 COc1ccc(cc....
689 2VX0 ic50 = 0.58 uM 7X7 C21 H20 Cl N5 O3 c1cc(cc(c1....
690 2X9F ic50 = 0.061 uM X9F C18 H16 N6 O2 S CS(=O)(=O)....
691 2VWU ic50 = 0.35 uM 7X1 C24 H27 Cl N4 O4 COc1cc2c(c....
692 2VWX ic50 = 0.04 uM 7X4 C17 H14 Cl N5 O4 S c1cc(cc(c1....
693 4BB4 - 32W C23 H21 N5 O2 COCCNC(=O)....
694 2VWW ic50 = 0.24 uM 7X2 C20 H19 Cl N4 O5 COc1cc(cc(....
695 6FNJ Kd = 142 nM DWT C26 H20 F3 N7 O Cc1ccc(cc1....
696 2XVD ic50 = 0.002 uM AS6 C26 H33 N5 O4 S Cc1ccc(cc1....
697 2VWZ ic50 = 0.794 uM 7X6 C18 H16 Cl N5 O4 S CS(=O)(=O)....
698 2VWY ic50 = 0.09 uM 7X5 C18 H15 Cl N4 O4 S CS(=O)(=O)....
699 4AW5 ic50 = 765 nM 30K C30 H31 N5 O2 CCN1CCC(CC....
700 3ZEW - STU C28 H26 N4 O3 C[C@@]12[C....
701 6FNK - DXK C11 H10 N6 Cn1c2c(cn1....
702 2OFU ic50 ~ 3 uM 1N9 C37 H46 N6 O7 Cc1cccc(c1....
703 2OF2 ic50 = 0.081 uM 547 C25 H26 N4 O c1ccc(cc1)....
704 3BYS ic50 = 0.5 nM AM5 C31 H30 F3 N7 O2 Cc1ccc(cc1....
705 3B2W ic50 = 0.6 nM 9NH C31 H29 F4 N7 O3 Cc1ccc(cc1....
706 1QPJ - STU C28 H26 N4 O3 C[C@@]12[C....
707 1QPE ic50 = 20 nM PP2 C15 H17 Cl N5 CC(C)(C)n1....
708 3BYU ic50 = 0.8 nM AM6 C32 H32 F3 N7 O2 Cc1ccc(cc1....
709 1QPD - STU C28 H26 N4 O3 C[C@@]12[C....
710 3BYM ic50 = 0.006 uM AM0 C25 H23 N7 O3 COc1cc(cc(....
711 2ZM1 ic50 = 220 nM KSF C18 H13 Cl N4 c1ccc(cc1)....
712 1QPC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
713 2OFV ic50 = 0.2 nM 242 C23 H17 F3 N4 O Cc1ccc(cc1....
714 3KXZ ic50 = 0.035 uM 925 C28 H32 N6 O3 CC1(CC(CC(....
715 3MPM ic50 = 30 nM 5LK C23 H26 N6 O CN1CCN(CC1....
716 3BYO ic50 = 7 nM AM9 C31 H30 N8 O Cc1cccc(c1....
717 2OG8 ic50 = 0.5 nM 1N8 C30 H31 F3 N6 O2 CCN(CC)CC(....
718 4C3F - 7KW C19 H15 N5 c1ccc(cc1)....
719 4ZJJ Kd = 9.9 nM 4OR C24 H29 Cl F N5 O CCN1c2ccc(....
720 5KBR ic50 = 260 nM IPW C22 H20 Cl N5 O c1cc(ccc1C....
721 4ZLO ic50 = 54 uM 4PV C18 H18 F2 N4 CN1CCN(CC1....
722 4ZJI Kd = 340 nM 4OQ C20 H22 Cl F N4 CCN1c2ccc(....
723 5DEY Ki = 3.7 nM 59T C25 H25 Cl N6 O3 Cc1cccc(n1....
724 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
725 4ZY5 Ki = 26 nM 4T5 C17 H25 N7 c1cnc(nc1N....
726 3SLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
727 5VO1 Ki = 0.007 uM 9FS C20 H24 F3 N5 O CC(C)n1c(c....
728 5CEQ Ki = 0.042 uM 50F C22 H28 N6 O c1cnc(cc1C....
729 5CEP Ki = 0.145 uM 50E C17 H22 F3 N5 CC(C)n1c(c....
730 5CEO Ki < 0.0005 uM 50D C23 H26 F2 N6 O c1cnc(cc1C....
731 4RVT ic50 = 1.9 uM 3XM C17 H19 N O4 CCCCCC(=O)....
732 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
733 4QRC - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
734 4TYJ - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
735 4UXQ Kd = 16 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
736 5JKG ic50 < 6.4 nM 6LF C21 H19 Cl2 N5 O2 C[C@H](c1c....
737 4AT4 ic50 = 0.012 uM T6E C20 H13 F4 N5 O S c1cc(ccc1c....
738 4AT3 ic50 = 0.004 uM LTI C16 H18 N4 O2 S2 c1ccc2c(c1....
739 4AT5 ic50 = 0.038 uM MUJ C20 H22 N4 O3 COc1ccc(cc....
740 4UXL Ki < 0.025 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
741 3ZBF Ki = 2.1 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
742 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
743 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
744 2P4I ic50 = 317 nM MR9 C29 H27 F3 N6 O3 Cc1ccc(cc1....
745 6MWE - 919 C30 H28 F N7 O3 CC(C)(C)c1....
746 4X3J - 3WR C21 H14 F4 N6 O2 c1cc(ccc1N....
747 2OO8 ic50 = 1 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
748 5MJA ic50 = 220 nM 7O3 C16 H12 Cl2 N4 O2 c1cc2c(cc1....
749 3QUP ic50 = 0.476 uM LUN C25 H27 F N4 O c1ccc2c(c1....
750 4FEQ ic50 = 1.1 uM 0T8 C24 H33 N7 O2 c1cnccc1CC....
751 4FF8 ic50 = 0.4 uM 14S C25 H34 N6 O3 COc1ccccc1....
752 4IBM ic50 = 1.8 uM IR1 C18 H10 N6 O c1ccc(cc1)....
753 5HHW - 60O C26 H33 N5 O2 c1cc(cc(c1....
754 1I44 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
755 3EKK ic50 = 2 nM GS2 C27 H27 F N8 O3 CNC(=O)c1c....
756 4XLV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
757 5E1S Kd = 12 nM 5JA C29 H37 N9 O C[C@@H]1Cc....
758 3EKN ic50 = 2 nM GS3 C27 H31 F N8 O2 CC(C)N1CCN....
759 4K33 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
760 2UV2 - GVD C22 H19 N7 c1ccc2c(c1....
761 2JFL - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
762 5ZJ6 - VSE C29 H34 N6 O CN1CCN(CC1....
763 2HK5 ic50 = 46 nM 1BM C24 H29 N7 O CCN(CC)CCN....
764 2XYU ic50 = 4.5 uM Q9G C17 H17 F N4 Cc1ccc(cc1....
765 2Y6O ic50 = 25 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AV9; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AV9 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ASE; Ligand: AV9; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 4ase.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZV2 609 20.8054
2 1O9U ADZ 21.1429
3 6ES0 BW8 40.0631
4 6F3G CJN 41.0169
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