Receptor
PDB id Resolution Class Description Source Keywords
4ASE 1.83 Å EC: 2.7.10.1 CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAIN 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 DOMAIN 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 33 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 (11)
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 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
5 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
6 6GQQ - F8B C23 H24 N6 O4 CC(C)c1cn(....
7 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
8 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
9 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
10 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
11 6GQL - F8B C23 H24 N6 O4 CC(C)c1cn(....
50% Homology Family (791)
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 6NPV ic50 = 0.00000001 M KWP C17 H16 Cl2 N4 O2 c1cc(c(cc1....
29 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
30 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
31 6NPE ic50 = 0.00000001 M KWD C12 H7 Cl2 N3 O S c1cc(c(cc1....
32 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
33 4WA9 Ki = 3800 pM AXI C22 H18 N4 O S CNC(=O)c1c....
34 4XLI Kd = 0.17 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
35 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
36 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
37 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
38 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
39 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
40 6HD4 - FYW C21 H18 F3 N5 O3 c1cc(ccc1N....
41 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
42 6NPU ic50 = 0.00000001 M KWV C11 H11 Cl2 N3 O CC(=O)NC1=....
43 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
44 4TWP Ki = 100 pM AXI C22 H18 N4 O S CNC(=O)c1c....
45 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
46 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
47 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
48 6HD6 - FYH C19 H19 F3 N2 O3 c1cc(cc(c1....
49 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
50 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
51 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
52 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
53 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
54 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
55 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
56 5NK3 Kd = 38.02 nM 92Q C22 H22 Cl N5 O2 S Cc1cccc(c1....
57 5NKB Kd = 0.759 nM 8ZT C25 H28 Cl N5 O3 S Cc1cccc(c1....
58 5IA3 Kd = 46 nM P17 C21 H16 Cl2 N4 O S CN1c2c(cnc....
59 5I9V - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
60 5NK8 Kd = 0.229 uM 90Z C27 H32 Cl N5 O3 S Cc1cccc(c1....
61 5I9Z Kd = 9 nM 627 C26 H30 N6 O3 CN1CCN(CC1....
62 5IA5 Kd = 25 nM GV0 C33 H37 F2 N7 O4 CN1CCN(CC1....
63 5I9W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
64 5NK4 Kd = 1.995 nM 90E C23 H22 Cl F2 N5 O2 S Cc1cccc(c1....
65 5IA2 Kd = 19 nM L66 C22 H19 N5 O4 Cc1ccc(cc1....
66 5NKA Kd = 3.47 uM 91H C25 H25 Cl N4 O4 S Cc1cccc(c1....
67 5NKI Kd = 18.62 nM 8ZW C22 H23 Cl N4 O4 S2 Cc1cccc(c1....
68 5NK6 Kd = 0.158 uM 90W C24 H25 Cl N4 O3 S Cc1cccc(c1....
69 5I9X Kd = 30 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
70 6FNG Kd = 73 nM DWT C26 H20 F3 N7 O Cc1ccc(cc1....
71 5NKH Kd = 25.7 nM 8ZQ C29 H29 Cl N6 O2 S Cc1cccc(c1....
72 5IA1 Kd = 530 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
73 5NK2 Kd = 0.182 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
74 5IA0 Kd = 187 nM A5B C27 H20 Cl F N4 O4 COc1cccc(c....
75 5I9Y Kd = 2.8 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
76 5NK9 Kd = 0.724 uM 912 C25 H29 Cl N4 O3 S Cc1cccc(c1....
77 1MQB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
78 5NK5 - 90K C24 H20 Cl N5 O2 S Cc1cccc(c1....
79 5NKG Kd = 20.89 nM 8ZK C25 H28 Cl N5 O2 S CCc1cc(cc(....
80 5NJZ Kd = 16.6 nM 8ZH C23 H24 Cl N5 O2 S Cc1cccc(c1....
81 6FNH - DXK C11 H10 N6 Cn1c2c(cn1....
82 5NKF - 8ZN C24 H23 Cl F3 N5 O2 S Cc1cccc(c1....
83 5NK0 - 91E C23 H26 Cl N5 O2 S Cc1cccc(c1....
84 5NKE - 90B C23 H23 Br Cl N5 O2 S Cc1cccc(c1....
85 5NK7 Kd = 0.467 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
86 5NK1 - 90N C22 H19 Cl N8 O2 S Cc1cccc(c1....
87 5NKD Kd = 26.3 nM 91K C24 H23 Cl N4 O4 S Cc1cccc(c1....
88 6FNF Kd = 13 nM DXH C26 H20 F3 N7 O Cc1ccc(cc1....
89 5NKC Kd = 18.62 nM 90T C23 H21 Cl N4 O4 S Cc1cccc(c1....
90 5IA4 Kd = 52 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
91 5BMM Ki = 0.01 uM FUM ALC PFF PPN ORN n/a n/a
92 3G6H ic50 = 4.6 nM G6H C32 H28 F3 N7 O4 Cc1ccc(cc1....
93 4FIC ic50 = 20 uM 0UL C11 H9 N5 c1ccc(cc1)....
94 3DQX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
95 4MXO Kd = 0.73 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
96 3F6X - IHH C22 H19 N7 c1ccc2c(c1....
97 3G6G ic50 = 18 nM G6G C35 H37 N9 O2 Cc1ccc(cc1....
98 3U51 ic50 = 25 uM 08X C38 H49 N9 O7 c1ccc(cc1)....
99 3F3T ic50 = 64.1 uM 1AU C24 H25 N5 O CC(C)(C)c1....
100 3EL8 ic50 = 25 nM PD5 C22 H20 F3 N7 O CC(C)n1c2c....
101 4LGG ic50 = 4 nM VGG C17 H21 N5 Cc1cccc(c1....
102 2OIQ Kd = 42 uM STI C29 H31 N7 O Cc1ccc(cc1....
103 4YBK Kd = 15 nM 4B7 C27 H29 N7 O3 S Cc1nc(cc(n....
104 1YOL - S03 C25 H27 N5 O2 COc1cccc(c....
105 3F3U ic50 < 1 uM 1AW C20 H23 N5 O CC(C)(C)c1....
106 3U4W ic50 = 0.13 uM 08L C36 H46 N8 O8 c1ccc(cc1)....
107 4O2P Ki = 0.2 uM 11V C25 H27 Cl N6 O S c1ccc(cc1)....
108 2BDJ ic50 = 0.00045 uM HET C26 H30 N5 O2 P CP(=O)(C)c....
109 2BDF ic50 = 0.067 uM 24A C20 H28 N6 O5 P2 CCn1cnc2c1....
110 3GEQ - PP2 C15 H17 Cl N5 CC(C)(C)n1....
111 3EN6 ic50 = 0.235 uM KS5 C17 H16 N6 CC(C)n1c2c....
112 3UQG - B5A C11 H16 N6 c1c2c(ncnc....
113 3UQF Ki = 0.2 uM BK5 C20 H21 N5 O CCOc1ccc2c....
114 4U5J ic50 = 2.92 uM RXT C17 H18 N6 c1c[nH]c2c....
115 3G5D ic50 = 0.0004 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
116 3DQW - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
117 5HES ic50 = 4 nM 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
118 6JUT ic50 = 2.1 nM C9O C21 H14 Br F2 N7 O3 S COc1c2cc(c....
119 4ZSA ic50 = 15 nM 4UT C27 H29 N5 O2 CCN1CCN(CC....
120 5Z0S - 960 C16 H11 Cl N8 O2 S Cn1cc(cn1)....
121 6ITJ ic50 = 10.8 nM AXU C21 H17 N5 O2 Cc1ccc2c(c....
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 6MZQ ic50 = 3.9 nM TZ0 C22 H22 N6 O3 COc1cc(cc(....
139 1AGW - SU2 C20 H21 N3 O2 c1ccc2c(c1....
140 5UR1 ic50 = 1.06 nM YY9 C31 H35 Cl2 N7 O4 CN(C)C/C=C....
141 4F65 ic50 = 2.5 nM 0S9 C20 H20 Br N7 O Cc1cc(on1)....
142 5AM6 Kd = 185 nM 38O C21 H21 F N6 O CN1CCN(CC1....
143 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
144 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
145 6GQO - F82 C25 H27 N5 O5 CC(C)n1cc(....
146 3BE2 ic50 = 2 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
147 2P2H ic50 = 68 nM 994 C23 H22 N6 O3 COc1cc(cc(....
148 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
149 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
150 6GQQ - F8B C23 H24 N6 O4 CC(C)c1cn(....
151 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
152 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
153 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
154 3WZE Kd = 33 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
155 1YWN ic50 ~ 0.003 uM LIF C27 H19 F4 N5 O3 COc1ccc(cc....
156 3WZD Kd = 2.1 nM LEV C21 H19 Cl N4 O4 COc1cc2c(c....
157 5EW3 ic50 = 0.0012 uM 5T2 C20 H16 F3 N3 O c1ccc(c(c1....
158 3CJF ic50 = 6.3 nM SAV C21 H22 N6 O3 Cc1c2ccc(c....
159 2QU6 Ki = 3 nM 857 C26 H26 Cl N5 O4 CNC(=O)c1c....
160 3U6J - 03X C29 H25 F N4 O5 CC1=C(C(=O....
161 3EWH ic50 = 69 nM K11 C28 H20 F3 N7 O CNc1nccc(n....
162 2P2I ic50 = 38 nM 608 C24 H20 N4 O2 c1ccc(cc1)....
163 3C7Q ic50 = 21 nM XIN C31 H33 N5 O4 CN1CCN(CC1....
164 6GQP - F88 C23 H23 N5 O4 CCn1cc(cn1....
165 6DKI - GOD C20 H19 F5 N4 O4 CNC(=O)c1c....
166 5JFV ic50 = 6 nM 6K1 C23 H21 Cl N6 O2 CC(C)n1cc(....
167 5KMJ - 6UF C20 H17 N3 O S c1ccc2c(c1....
168 6D1Z - FQM C22 H17 Cl N6 O2 c1ccc(cc1)....
169 6D20 - FQG C26 H23 Cl2 N5 O3 CC(C)(CNC(....
170 4YNE - 4EK C21 H18 F N5 c1ccnc(c1)....
171 5KMK - 6UG C20 H13 F5 N2 O Cc1ccc(c(n....
172 4PMM ic50 = 662 nM 31V C27 H26 N8 O2 Cc1cn(cn1)....
173 6NSS ic50 = 1.4 nM L0M C27 H21 N5 O2 Cc1c2nc(c(....
174 4PMP ic50 = 4233 nM 31W C21 H18 F3 N3 O2 S c1cc(cc(c1....
175 5H3Q ic50 = 6 nM 7HF C26 H31 F2 N5 O3 CCOc1c(c(n....
176 6D1Y - FQJ C17 H13 Cl2 N3 O Cc1cc(n(n1....
177 6NSP ic50 = 44.1 pM L0P C24 H20 N4 O2 S Cc1cccn2c1....
178 5KMI - 6UE C25 H20 N4 O Cc1ncc(c(n....
179 6PL1 Kd = 0.00000145 M OOJ C20 H15 F3 N6 O2 S2 CC1=CN2C(=....
180 5KML - 6UH C19 H16 F3 N3 O2 Cc1c(c(no1....
181 4PMT ic50 = 997 nM 31Y C23 H23 N7 O c1cc(cnc1)....
182 5KMM - 6UJ C22 H18 N4 O Cc1ncc(c(n....
183 4YPS - 4F6 C23 H18 F N5 O c1cc(cc(c1....
184 6J5L ic50 = 1.6 nM B9C C24 H27 N7 O2 S CS(=O)(=O)....
185 5JFW ic50 = 62 nM 6K2 C24 H20 N6 O2 CC(C)n1cc(....
186 5JFX ic50 = 6 nM 6K4 C23 H22 Cl N7 O3 CC(C)(CO)n....
187 5KMN - 6UK C20 H17 F3 N4 O Cc1ncc(c(n....
188 5JFS ic50 = 2 nM 6K0 C22 H19 F2 N7 O2 CC(C)n1cc(....
189 6NPT ic50 = 68.3 pM KWY C26 H25 N3 O CC(C)(C)c1....
190 4F1T - H52 C16 H21 N3 O2 S Cc1cncc2c1....
191 4YZN ic50 = 15.4 uM 4K5 C20 H21 F4 N5 O3 COc1cc(c(c....
192 4F1M - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
193 4F1O - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
194 4F0F - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
195 6HZU ic50 = 5.5 nM GYQ C18 H17 N7 O2 c1c2c(nc(n....
196 6N78 Ki = 0.21 nM KEP C18 H13 Cl F2 N6 O2 Cn1cc(c(n1....
197 4IVB Ki = 1.9 nM 1J5 C17 H19 N5 O C[C@H](c1n....
198 4EI4 Ki = 1.8 nM 0Q2 C15 H18 N4 O Cc1nc2cnc3....
199 4IVC Ki = 0.1 nM 1J6 C18 H21 N5 O C[C@H](c1n....
200 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O C[C@@H]1CC....
201 4K77 Ki = 235 nM 1Q4 C13 H16 N4 O c1nc2c(c(n....
202 4EHZ Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
203 6N77 Ki = 0.57 nM KEJ C18 H15 Cl N6 O2 Cn1cc(c(n1....
204 5WO4 ic50 = 0.1 nM B7V C17 H18 Cl N5 O3 COc1cc(ccc....
205 6DBN ic50 = 17 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
206 6N7C Ki = 0.67 nM KF1 C21 H16 N6 O2 COc1cc2ccc....
207 4I5C Ki = 1.5 nM C5I C15 H15 N7 O c1c[nH]c2c....
208 4IVD Ki = 0.3 nM 15T C19 H23 N5 O C[C@H](c1n....
209 5E1E ic50 = 0.022 uM 5JG C20 H23 Cl F N5 O2 COc1cc(c(c....
210 6N7A Ki = 4.3 nM KEV C19 H17 Cl N6 O2 Cn1cc2cncc....
211 6N7D Ki = 0.3 nM KF4 C18 H14 N8 O2 COc1cc2c(c....
212 6N7B Ki = 0.6 nM KEY C18 H15 Cl N6 O2 Cn1cc(c(n1....
213 4E5W Ki = 22 nM 0NT C21 H28 N6 O CC(C)N1CCC....
214 6BBU ic50 = 0.029 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
215 5HX8 ic50 = 0.1 nM 66P C18 H21 N5 O c1ccc2c(c1....
216 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
217 4E4N Ki = 0.9 nM 0NL C18 H23 N5 O2 CC(C)(C)OC....
218 6AAH - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
219 4E4L Ki = 1.7 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
220 4FK6 Ki = 0.2 nM 0UJ C17 H21 N5 O2 S CS(=O)(=O)....
221 6N79 Ki = 0.21 nM KES C17 H11 Cl F2 N6 O2 c1cnc2c(cn....
222 2WGJ Ki = 0.002 uM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
223 4DEH ic50 = 612 nM 0JK C21 H17 N5 O c1ccc(cc1)....
224 4IWD ic50 = 1 nM 1JC C29 H28 N6 O3 S c1ccnc(c1)....
225 3F82 ic50 = 3.9 nM 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
226 5YA5 ic50 = 0.19 uM 6TD C19 H15 N5 O S COc1ccc(cc....
227 4XYF - 44X C24 H22 F N5 O3 Cc1cc(on1)....
228 2RFS - AM8 C23 H22 Cl N3 O3 S Cc1c(c([nH....
229 4R1V ic50 = 400 nM 3E8 C29 H28 N6 O2 CN1CCC(CC1....
230 3CTH ic50 = 0.035 uM 319 C20 H16 F2 N4 O3 c1cc(ccc1C....
231 4AOI Ki = 0.004 uM 4K0 C19 H12 N8 c1cc2c(c[n....
232 3DKC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
233 4XMO ic50 = 2 nM 46G C22 H17 F2 N5 O2 Cc1cc(on1)....
234 4R1Y ic50 < 1 nM 3EH C26 H34 N4 O5 S CCN(CC)CCC....
235 4GG5 ic50 = 0.93 nM 0J3 C22 H22 F3 N5 O2 CN1CCN(CC1....
236 4AP7 Ki = 0.011 uM F47 C17 H12 F N5 O c1cc(ccc1C....
237 6SDD - 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
238 3Q6W Kd = 27 nM Q6W C31 H30 N6 O2 c1ccnc(c1)....
239 3CD8 ic50 = 9 nM L5G C22 H17 N5 O2 COc1ccc2c(....
240 4EEV ic50 = 42 nM L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
241 3RHK ic50 = 520 nM M97 C23 H16 N3 O2 c1ccc2c(c1....
242 4GG7 ic50 = 6.5 nM 0J8 C23 H21 F3 N8 O2 c1cc(cc(c1....
243 3ZZE Ki = 0.0013 uM 6XP C18 H18 Cl N3 O3 Cc1ccc(c2c....
244 3U6I - 044 C30 H27 F N4 O5 CC1=C(C(=O....
245 4DEI ic50 = 1 nM 0JL C23 H22 N6 O3 S Cc1cc(sn1)....
246 2WD1 ic50 = 82 nM ZZY C14 H10 N4 O5 S c1ccc(c(c1....
247 3CE3 ic50 = 1.8 nM 1FN C25 H16 F2 N4 O3 c1cc(ccc1N....
248 3LQ8 ic50 = 0.4 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
249 3EFK Ki = 14 nM MT4 C28 H22 F2 N4 O4 CN1C(=O)C(....
250 3ZCL Ki = 0.0101 uM 5TF C17 H19 N7 C[C@@H](c1....
251 5UAB - 84M C16 H13 N7 O S c1ccn2c(c1....
252 5UAD - 84P C21 H19 N9 O Cn1cc(cn1)....
253 3ZC5 Ki = 0.0103 uM W9Z C20 H17 N7 C[C@@H](c1....
254 3U6H Ki = 1 nM 03X C29 H25 F N4 O5 CC1=C(C(=O....
255 3ZBX Ki = 0.006 uM 6XE C20 H13 F N6 c1cc2cc(cc....
256 1R0P Kd = 10 nM KSA C27 H21 N3 O5 C[C@@]12[C....
257 6SDE - V0L C17 H15 N9 C[C@@H](c1....
258 5HOR ic50 = 6 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
259 5HO6 ic50 = 204 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
260 3VW8 - DF6 C26 H23 N3 O4 S COc1cc2c(c....
261 3L8V ic50 = 0.008 uM L8V C23 H16 F3 N5 O2 c1cc(c(nc1....
262 5EYD ic50 = 1 nM 5T1 C23 H22 F N7 O3 C[C@H](c1n....
263 4DEG ic50 = 6 nM 0JJ C19 H16 N8 O S Cc1cc(sn1)....
264 5HLW ic50 = 23 nM 62E C26 H28 N8 O S3 CCN1CCC(CC....
265 5HNI ic50 = 10 nM 63B C20 H14 F N7 O2 S COC(=O)Nc1....
266 3R7O - M61 C28 H32 N6 O5 S CN(C[C@@H]....
267 3DKG - SX8 C18 H13 N7 S Cn1cc(cn1)....
268 5EOB ic50 = 0.24 nM 5QQ C20 H11 F3 N6 c1cc2cc(cc....
269 5HOA ic50 = 64 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
270 3ZXZ Ki = 0.005 uM KRW C19 H16 N8 O c1cc2cc(cc....
271 3DKF ic50 = 4 nM SX8 C18 H13 N7 S Cn1cc(cn1)....
272 6SDC - 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
273 5EYC ic50 = 3 nM 5SZ C20 H15 F N6 O2 Cc1cc(on1)....
274 3CTJ ic50 = 0.11 uM 320 C22 H16 F2 N4 O3 c1cc(ccc1C....
275 2RFN ic50 = 5 nM AM7 C35 H35 F N4 O5 CN1C(=NC=C....
276 3QTI ic50 = 14 nM 3QT C20 H16 N6 Cn1cc(cn1)....
277 3CCN ic50 = 120 nM LKG C18 H14 N4 O c1ccc(cc1)....
278 3F66 ic50 = 0.9 uM IHX C20 H19 F3 N4 O CN1CCN(CC1....
279 2WKM ic50 = 9 nM PFY C32 H34 Cl2 N4 O4 S Cc1c([nH]c....
280 3I5N ic50 = 17 nM B2D C21 H17 N7 O COc1cc2c(c....
281 4KNB ic50 = 0.047 uM 1RU C23 H22 Cl2 F N5 O2 C[C@H](c1c....
282 6SD9 - 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
283 3TUC ic50 = 100 nM FPW C29 H24 N4 O5 COc1cc2c(c....
284 4YJQ - 4DK C24 H23 N7 O2 Cc1c(ocn1)....
285 4I0R ic50 = 14 nM 1B4 C19 H22 N4 O4 CC(C)NC(=O....
286 4YJP - 4DL C20 H19 N7 O3 S c1cc2c(cn[....
287 5C27 - GLU VAL TYR GLU SER n/a n/a
288 5LMB ic50 = 16 nM 6ZF C20 H25 N7 CN(C)c1ccc....
289 5TR6 ic50 = 3.2 nM 7KG C17 H21 F N6 O Cn1cc(cn1)....
290 5Y5U ic50 = 17.7 nM 8OU C20 H21 N7 O2 Cn1c2ccc(c....
291 4XG4 ic50 = 21.5 nM X4G C24 H30 F N5 O3 Cc1cc(cc(c....
292 4WNM Ki = 18 nM 3RT C24 H29 N7 O2 c1cc(n2c(c....
293 4YJT - 4DQ C20 H18 F N7 O2 S CCN(c1cccc....
294 4PV0 Kd = 4 nM CG4 C28 H23 N5 O5 COc1ccc(cc....
295 4FYO ic50 = 47 nM 0VF C25 H24 N6 O5 S COc1ccc(cc....
296 5LMA ic50 = 0.25 uM 6ZG C18 H21 N5 Cc1ccc(cc1....
297 5Y5T ic50 = 211 nM 8OR C20 H24 N6 O3 S CS(=O)(=O)....
298 3FQE Ki = 0.02 uM P5C C18 H24 N6 O Cc1cccc(c1....
299 4FYN - 0VE C22 H23 N5 O2 CCN(CCO)c1....
300 4I0T ic50 = 26 nM 1B6 C18 H22 N6 O CC(C)(C)NC....
301 4YJS - 4DN C21 H21 N7 O3 S c1cc2c(cn[....
302 4FL1 Kd = 520 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
303 4RX8 ic50 = 35 nM 3YX C18 H22 N8 O c1cc2cc[nH....
304 5CXZ ic50 = 552 nM 55U C19 H23 N5 CN(C)c1ccc....
305 5TT7 ic50 = 13 nM 7KF C19 H24 N6 O Cc1cccc(c1....
306 5CY3 ic50 = 16 nM 55Y C16 H16 N4 O3 S C[C@H]([C@....
307 3TUD ic50 = 2.1 nM FPX C29 H22 F3 N5 O2 Cc1ccc(cc1....
308 4FZ6 ic50 = 127 nM 0VG C22 H22 N6 C[C@H]1CCC....
309 4YJU - 4DO C19 H16 F N7 O2 S CN(c1cccc2....
310 6HM6 ic50 = 3.16 uM GDK C18 H16 N2 O Cc1ccc(cc1....
311 4XG6 ic50 = 9.7 nM X6G C20 H24 N6 O Cc1cc(cc(c....
312 3VF9 ic50 = 358.2 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
313 3FQH ic50 = 0.57 uM 057 C21 H22 N4 O2 CC(C)(CO)N....
314 3FQS ic50 = 0.041 uM 585 C22 H23 F N6 O5 CC1(C(=O)N....
315 4DFL ic50 = 2.4 uM 0K0 C18 H24 N6 O3 S CS(=O)(=O)....
316 5TIU ic50 = 5 nM 7CU C16 H18 N6 O C[C@@H](CN....
317 1XBC ic50 = 0.012 uM STU C28 H26 N4 O3 C[C@@]12[C....
318 4PUZ ic50 = 7.7 nM CG9 C23 H21 N7 O c1cc(ccc1N....
319 4XG3 ic50 = 17.5 nM X3G C23 H28 F N5 O4 S Cc1cc(cc(c....
320 4XG7 ic50 = 32.6 nM X7G C20 H22 N8 O Cc1c(cn(n1....
321 6HM7 ic50 = 79.4 nM GDH C24 H26 N2 O2 Cc1ccnc(c1....
322 3TUB ic50 = 320 nM FPU C26 H24 N4 O4 COc1cc2c(c....
323 4XG8 ic50 = 1.9 nM X8G C20 H21 Cl N8 O Cc1c(cn(n1....
324 1XBB Ki = 5 uM STI C29 H31 N7 O Cc1ccc(cc1....
325 4F4P ic50 = 0.6 nM 0SB C21 H20 F3 N5 c1cc(cc(c1....
326 4RX7 ic50 = 5 nM 3YV C18 H22 N10 O c1cc(cc(c1....
327 4YJO - 4DF C20 H18 Cl N7 O2 S CCN(c1cccc....
328 4RSS ic50 = 1.7 nM 4MG C23 H27 N7 O Cc1c(n(c2c....
329 5CXH ic50 = 5 nM 55M C20 H21 N3 O4 S C[C@H]([C@....
330 3VF8 ic50 = 150 nM 0JE C17 H21 F N6 O2 CCN(CC)C(=....
331 5C26 ic50 = 0.17 uM 50H C21 H19 N5 O3 COc1ccc(cc....
332 4PX6 ic50 = 4 nM 2X6 C21 H23 N7 O c1cc2cc[nH....
333 4RX9 ic50 = 19 nM 3YT C19 H23 N9 O c1cc(cc(c1....
334 4DFN ic50 = 0.04 uM 0K1 C25 H28 N6 O2 Cn1cc(cn1)....
335 4YJR - 4DJ C22 H22 N8 O Cn1c2ccc(c....
336 4I0S ic50 = 36 nM 1B5 C18 H17 Cl N6 O CC(C)NC(=O....
337 4GK3 - L87 C19 H21 N5 O2 CCCCn1c(cn....
338 3FY2 - LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP n/a n/a
339 4TWO ic50 = 8000 nM 37W C19 H22 N2 O4 S Cc1ccc(cc1....
340 4P4C - 25Q C18 H15 N5 O2 COc1cccc(c....
341 4GK2 - L66 C22 H19 N5 O4 Cc1ccc(cc1....
342 4TWN - B96 C31 H37 N5 O3 Cc1ccc(cc1....
343 2QOQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
344 4GK4 - L90 C20 H21 N7 O2 CCCCn1c(cn....
345 3FXX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
346 2QO7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
347 4P5Q - Q0B C22 H22 Cl N5 O2 CCOCCCNC(=....
348 2QOC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
349 4P5Z Kd = 39.3 nM Q7M C25 H18 F3 N7 O2 c1ccc2c(c1....
350 2QO9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
351 4XV2 ic50 = 0.0054 uM P06 C23 H20 F3 N5 O2 S2 CC(C)(C)c1....
352 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
353 4XV9 ic50 = 0.19 uM 1OO C21 H11 Cl F5 N3 O3 S c1cc(ccc1C....
354 6N0Q ic50 = 0.04 uM K7S C23 H18 F3 N3 O2 Cc1ccc(cc1....
355 5ITA - 6DC C19 H19 N5 O3 S CCCS(=O)(=....
356 5JRQ - 6N9 C24 H23 F2 N3 O4 S CCCS(Nc1cc....
357 4XV1 ic50 = 0.0042 uM 904 C24 H22 F2 N6 O3 S CCN(C)S(=O....
358 4EWH Ki = 0.0003 uM T77 C26 H29 N5 O S2 CN(C)CCOc1....
359 3EQP - T95 C33 H38 N6 O4 CCOc1ccccc....
360 1U4D - DBQ C11 H11 N5 O2 c1c[nH]c2c....
361 3EQR Ki = 0.002 uM T74 C29 H38 N8 O Cc1cccc(c1....
362 5ZXB ic50 = 8 nM 9KO C33 H32 F3 N9 O3 Cc1ccc(cc1....
363 1U59 ic50 = 55.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
364 5DA3 ic50 = 80 nM 58V C23 H22 Cl N7 O2 c1cc(c(cc1....
365 6CZ4 ic50 = 0.076 uM FKY C24 H23 F4 N5 O4 Cn1cc(nc1)....
366 6CZ3 ic50 = 0.056 uM FLJ C21 H20 F N7 O2 Cc1cn2c(cn....
367 6DUK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
368 3W32 ic50 = 75 nM W32 C25 H23 Cl F3 N5 O4 S CS(=O)(=O)....
369 5CAU Ki = 1.6 nM 4ZR C21 H25 F4 N7 O2 C[C@H](c1n....
370 5D41 ic50 = 0.024 uM 57N C19 H15 N3 O2 S c1ccc(cc1)....
371 4I22 - IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
372 2ITV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
373 3POZ ic50 = 23 nM 03P C26 H25 Cl F3 N5 O3 CC(C)(CC(=....
374 5HCY Ki = 1.2 nM 60D C26 H30 N8 O4 S CC(C)n1cc(....
375 5CAP Ki = 52 nM 4ZH C19 H26 N6 O3 S Cc1nc2cnc(....
376 3W33 ic50 = 36 nM W19 C25 H22 Cl N5 O3 S c1cc(c2ccs....
377 2ITN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
378 4RJ8 Ki = 17 nM 3QS C22 H28 N6 O COC1CCN(CC....
379 6P8Q - O57 C20 H15 F N2 O c1ccc(cc1)....
380 5CAS Ki = 1.4 nM 4ZQ C21 H25 F4 N7 O2 C[C@H](c1n....
381 5X2F - 7XU C28 H34 N8 CN1CCN(CC1....
382 3VJN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
383 3UG2 Kd = 5.6 nM IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
384 5X2C - 7XR C27 H32 N8 CN1CCN(CC1....
385 5CNN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
386 5CAQ Ki = 2.7 nM 4ZJ C20 H26 F N7 O Cc1nc2cnc(....
387 2RGP ic50 = 0.3 uM HYZ C24 H27 F N8 c1cc(cc(c1....
388 5UGA Ki = 161 nM 8BM C25 H35 N9 O CC(C)n1cnc....
389 5CNO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
390 5C8N Ki = 492 nM 4YX C22 H32 N8 O Cc1nc2cnc(....
391 5X2A - 7XO C25 H30 N8 CC(C)n1c2c....
392 1XKK Ki = 3 nM FMM C29 H26 Cl F N4 O4 S CS(=O)(=O)....
393 6P1D - NQ1 C20 H15 F N2 O c1ccc(cc1)....
394 3BEL ic50 = 0.014 uM POX C22 H22 F N7 O2 COCCO/N=C/....
395 4OTF ic50 = 0.006 uM 2VL C33 H36 N6 O3 S Cc1c(cccc1....
396 5BQ0 ic50 = 15 nM 4US C25 H23 Cl N4 O2 CN1CCN(CC1....
397 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
398 6NFH - KLM C26 H28 N6 O4 CN(C)C[C@@....
399 5JRS ic50 = 30 nM 6MV C30 H23 F N4 O3 CC(C)(c1cc....
400 6E4F ic50 = 2.5 nM HRA C25 H23 Cl N4 O4 c1ccc(cc1)....
401 5FBO ic50 = 0.31 nM 5WH C29 H27 F4 N7 O2 C[C@H]1CC[....
402 5KUP ic50 = 7.5 nM 6XL C28 H26 F N7 O3 CC(C)(C)c1....
403 6S90 ic50 = 13 nM L0Z C36 H38 N6 O2 Cc1c(cccc1....
404 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
405 4NWM ic50 = 0.038 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
406 5P9H - 7G7 C34 H37 F N8 O3 CC(C)(C)c1....
407 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
408 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
409 4ZLY ic50 = 3.5 uM 4RU C9 H8 N4 O c1ccc2c(c1....
410 5U9D ic50 = 0.00055 uM 83P C27 H24 N6 O3 CNC(=O)[C@....
411 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
412 5VGO Ki = 1.28 nM 9B1 C29 H29 N5 O3 S CC1(Cc2c3c....
413 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
414 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
415 5P9G - 7G6 C35 H35 F N6 O3 CN1CCN(CC1....
416 6HRP - GMQ C34 H34 F N7 O5 CC(C)(C)c1....
417 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
418 5VFI Ki = 0.91 nM 9AJ C37 H44 N8 O4 C[C@H]1CN(....
419 6NZM ic50 = 0.001 uM L9S C29 H33 F N8 O2 c1cc(cc(c1....
420 6NFI - KLP C21 H22 N4 O3 S Cc1cccc(c1....
421 5T18 ic50 = 0.5 nM 73T C32 H30 F2 N4 O4 Cc1c(cccc1....
422 5P9I - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
423 6HRT - GMW C37 H37 F N6 O5 CC(C)(C)c1....
424 4Z3V ic50 = 4 nM 4L6 C17 H14 N6 O Cc1cc2cn[n....
425 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
426 5BPY - 4UQ C33 H40 N6 O4 CC(C)(C)c1....
427 6OMU ic50 = 8.9 nM MZJ C25 H27 N5 O2 C=CC(=O)N1....
428 5FBN ic50 = 0.17 nM 5WF C29 H28 F3 N7 O3 CC1(COC1)C....
429 6DI0 - GJG C12 H17 N3 O c1cc(ncc1C....
430 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
431 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
432 4ZLZ ic50 = 100 nM 4RV C15 H13 N5 O Cc1ccncc1c....
433 4Y95 - 746 C34 H37 N5 O4 Cc1c(cccc1....
434 4RX5 ic50 = 3 nM 3YO C27 H24 F N7 O2 S Cc1c(ccc(c....
435 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
436 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
437 5P9F - 2VL C33 H36 N6 O3 S Cc1c(cccc1....
438 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
439 1OPK - MYR C14 H28 O2 CCCCCCCCCC....
440 5MO4 - NIL C28 H22 F3 N7 O Cc1ccc(cc1....
441 2FO0 - P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
442 3D94 ic50 = 118 nM D94 C30 H31 N7 CN1CCN(CC1....
443 2OJ9 ic50 = 0.39 uM BMI C22 H19 N7 O Cc1cc(cc2c....
444 3I81 ic50 = 13 nM EBI C23 H24 F N9 O C[C@]1(CCC....
445 5HZN ic50 = 0.06 uM 66A C27 H29 N5 O c1ccc(cc1)....
446 4D2R ic50 = 3.3 uM DYK C24 H26 N6 O2 CN1CCC(CC1....
447 3O23 ic50 = 0.5 uM MQY C21 H16 F3 N3 O4 S C[C@H]1C(=....
448 3NW6 ic50 = 7 nM LGW C22 H21 F N8 O c1cc2c(nc(....
449 3NW5 ic50 = 8400 nM LGX C22 H21 F N8 O c1cc2c(nc(....
450 2ZM3 ic50 = 2.42 uM 575 C21 H20 Br N3 O2 c1cc(ccc1C....
451 1JQH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
452 3NW7 ic50 = 5.3 nM LGV C19 H17 F N8 O c1cc2c(nc(....
453 2C0I - L1G C33 H39 N9 O2 Cn1c2ccccc....
454 3VRZ - VRZ C25 H26 N6 O c1ccc(cc1)....
455 1QCF - PP1 C16 H19 N5 Cc1ccc(cc1....
456 5H0B ic50 = 11 nM OOQ C30 H35 N5 O3 CC(C)C[C@@....
457 5H09 ic50 = 1323 nM OOO C32 H39 N5 O3 CCOC(=O)[C....
458 3VS3 - VSE C29 H34 N6 O CN1CCN(CC1....
459 2C0T - L3G C32 H36 N8 O3 Cn1c2ccccc....
460 3VS1 - VSA C24 H24 N6 O c1ccc(cc1)....
461 3VS6 - VSH C20 H26 N6 O3 CC(C)n1c2c....
462 5H0H ic50 = 686 nM OOV C32 H40 N6 O2 CC(C)C[C@@....
463 3VRY ic50 = 7.7 nM B43 C23 H22 N4 O c1ccc(cc1)....
464 5H0G ic50 = 111 nM OOU C31 H38 N6 O2 CC(C)C[C@@....
465 5H0E ic50 = 210 nM OOS C30 H36 N6 O2 CC(C)C[C@@....
466 2SRC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
467 1Y57 ic50 = 1633 nM MPZ C28 H29 N7 O CN1CCN(CC1....
468 6F3F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
469 3BRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
470 5U6C Ki < 0.05 nM 7YS C21 H22 Cl F N6 O3 Cc1c-2c(n(....
471 5TC0 ic50 = 25 nM 79Y C18 H19 N5 O4 S2 CS(=O)(=O)....
472 5K0X ic50 = 4.4 nM K0X C24 H34 F N7 O2 c1cc(ccc1C....
473 2P0C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
474 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
475 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
476 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
477 5CF6 ic50 = 8.2 nM 50O C20 H26 N6 O3 CNc1c2c(c3....
478 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
479 5TQ4 ic50 = 4.2 nM 7GY C16 H15 N3 O2 CCc1cc(ccc....
480 5USY - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
481 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O C[C@@H]1CC....
482 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
483 5CF5 ic50 = 2.5 nM 50W C23 H27 N7 O S CCn1c(cc2c....
484 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
485 4YTC - 4HW C18 H16 N8 c1ccc(cc1)....
486 4E6D Ki = 0.88 nM 0NU C16 H16 N6 O c1c[nH]c2c....
487 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
488 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
489 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
490 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
491 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
492 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
493 5CF8 ic50 = 1.1 nM 50V C23 H28 N8 O CCn1c(cc2c....
494 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
495 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
496 4BBF ic50 = 2.2 nM O19 C25 H28 N6 O2 c1cc(ccc1c....
497 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
498 6AAJ - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
499 5WEV Ki = 0.15 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
500 4E6Q Ki = 4.56 nM 0NV C20 H21 N5 c1ccc(cc1)....
501 5TQ5 ic50 = 58.8 nM 7GX C22 H20 N4 O2 CCc1cc(ccc....
502 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
503 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
504 5TQ6 ic50 = 123.6 nM 7GV C18 H26 N6 O C[C@@H]1CC....
505 4YTF Ki = 0.007 uM 4HZ C16 H13 Cl F4 N6 O C[C@@H](C(....
506 5AEP ic50 = 0.068 uM QUP C18 H14 Cl N5 O Cc1ccc(cc1....
507 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
508 6BBV ic50 = 0.803 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
509 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
510 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
511 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
512 5TQ8 ic50 = 23.1 nM 7GS C31 H31 F N8 O2 CCc1cc(c(c....
513 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
514 4YTH Ki = 0.002 uM 467 C17 H15 Cl F4 N6 O CC(C)(C(=O....
515 4IVA - 1J5 C17 H19 N5 O C[C@H](c1n....
516 4BBE ic50 = 3.6 nM 3O4 C22 H23 N5 O2 CC(=O)Nc1c....
517 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 C[C@@H](c1....
518 5CF4 ic50 = 40 nM 50Y C22 H30 N6 O2 CCn1c(cc2c....
519 5L3A Kd = 13 uM 6DP C8 H9 N3 O2 S CS(=O)(=O)....
520 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
521 4F09 Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
522 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
523 5TQ7 - 7GT C24 H30 N6 O3 S C[C@@H]1CC....
524 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
525 5AAA Ki = 0.38 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
526 4CLJ Ki = 0.1 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
527 4CMO Ki = 0.85 nM YPW C20 H20 F N5 O3 C[C@H](c1c....
528 5AA8 Ki = 8.6 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
529 3LCS - STU C28 H26 N4 O3 C[C@@]12[C....
530 4CCU - AWF C22 H23 F N6 O2 S Cc1c(sc(n1....
531 5IUH ic50 = 402 nM 34Y C30 H36 N8 O3 Cc1cc(ccc1....
532 2XB7 Ki = 0.65 nM GUI C30 H40 Cl N7 O3 S CC(C)S(=O)....
533 4CCB - OFG C19 H18 F N7 O Cc1c(c[nH]....
534 4CTC - J99 C23 H24 F N5 O2 C[C@@H]1c2....
535 4FOD ic50 = 0.0012 uM 0UV C33 H44 F N5 O3 CC(C)NC(=O....
536 4DCE ic50 = 0.174 uM 0JF C27 H33 N5 O4 Cc1ccc(cc1....
537 6E0R ic50 = 20 nM HKJ C21 H21 F N6 O3 S Cc1cc(n[nH....
538 5AAC Ki = 1.3 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
539 5IUI - 45Q C23 H28 N6 O Cc1cc(ccc1....
540 5IMX - CZ4 C27 H38 Cl N7 O3 S Cc1cc(c(cc....
541 4ANQ ic50 = 605 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
542 4Z55 ic50 = 13 nM 4LO C30 H39 N7 O3 S Cc1cc(c(cc....
543 5A9U Ki = 0.08 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
544 4FOB ic50 = 0.005 uM 0US C30 H39 N5 O4 S C=CCNS(=O)....
545 5FTQ ic50 = 0.01 uM U4W C32 H36 F2 N6 O2 CN1CCN(CC1....
546 3AOX Kd = 2.4 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
547 4CD0 Ki = 0.2 nM AWJ C22 H25 F N6 O3 S Cc1c(sc(n1....
548 5AA9 Ki = 6.4 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
549 3LCT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
550 2XBA Ki = 23.68 nM 571 C25 H27 N6 O3 CN1CCN(CC1....
551 5IUG ic50 = 177 nM 729 C31 H38 N8 O3 Cc1cc(ccc1....
552 4MKC - 4MK C28 H36 Cl N5 O3 S Cc1cc(c(cc....
553 4CTB - KVC C23 H18 F N7 O2 C[C@@H]1c2....
554 5AAB Ki = 0.88 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
555 2XP2 - VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
556 6EBW ic50 = 2.5 nM J3Y C23 H24 F N7 O2 Cc1cc(n[nH....
557 4CLI Ki < 0.07 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
558 4CMT Ki < 0.2 nM GWH C22 H22 F N5 O3 S C[C@H](c1c....
559 4FOC ic50 = 0.003 uM 0UU C28 H34 N4 O3 COC(=O)C1C....
560 4CNH Ki = 4 nM 3U9 C17 H18 F N5 O2 C[C@H](c1c....
561 4FNY ic50 = 0.256 uM I3K C24 H18 Cl N3 O4 COc1cc2c(c....
562 5KZ0 Ki = 22 nM 6YL C21 H24 F N5 O2 Cc1c(cn(n1....
563 6MX8 ic50 = 0.37 nM 6GY C29 H39 Cl N7 O2 P CN1CCN(CC1....
564 4CMU Ki < 0.2 nM IV7 C21 H22 F N5 O2 Cc1c-2c(n(....
565 5FTO ic50 = 0.012 uM YMX C31 H34 F2 N6 O2 CN1CCN(CC1....
566 1MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
567 6GCW ic50 = 4.7 nM EUQ C27 H31 Cl N10 O2 CCC(=O)NCC....
568 2JKK ic50 = 6.24 nM BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
569 6GCX ic50 = 0.6 nM EUW C28 H29 Cl N8 O4 CCC(=O)NCC....
570 4K9Y Kd = 0.111 uM K9Y C26 H27 N9 O Cc1ccc(cc1....
571 4Q9S ic50 = 156 uM 30G C10 H9 N3 O2 c1ccc2c(c1....
572 4D5H - 9RM C11 H9 F3 N4 O CC1=C(NC(=....
573 4D4V - KB8 C15 H16 F3 N3 Cc1ccc2c(c....
574 6I8Z ic50 = 17 nM H82 C28 H29 F3 N5 O4 C[NH+]1CCC....
575 4GU6 Kd = 44 nM 10N C22 H20 N6 O2 S CN(c1c(ccc....
576 4KAO Kd = 0.77 uM KAO C26 H27 N5 O Cc1ccc(cc1....
577 2JKM ic50 = 17.76 nM BII C25 H32 Cl N7 O3 S CC(C)NS(=O....
578 3BZ3 ic50 = 1.5 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
579 4GU9 Kd = 43 uM 4GU C11 H8 F N5 c1ccc(c(c1....
580 4EBV ic50 = 0.99 uM 0O7 C18 H17 N3 O2 S CCc1ccc(cc....
581 2JKO ic50 = 7.7 nM BIJ C25 H28 Cl N7 O2 CN1CCN(CC1....
582 4I4E ic50 = 0.5 uM 1BQ C24 H26 N4 O4 S CN1c2ccc(c....
583 2J0L - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
584 4I4F ic50 = 0.64 uM 1BR C22 H26 N4 O2 S CC(C)(C)c1....
585 4BRX ic50 = 0.32 uM KGW C22 H25 N7 O3 CNC(=O)c1c....
586 4D4S - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
587 4D58 - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
588 4C7T ic50 = 0.14 uM 5RI C20 H22 N6 O4 CNC(=O)c1c....
589 4E1Z - 0MX C24 H17 Cl N4 O4 S c1cc(cc(c1....
590 4GFO Ki = 0.24 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
591 4GJ3 Ki = 1.4 nM 0XP C17 H11 Cl2 F N4 O2 c1cnc(cc1N....
592 4GII Ki = 1.8 nM 0X6 C17 H12 Cl2 N4 O2 c1cnc(cc1N....
593 6AAM - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
594 3NYX Ki = 32 nM TZ1 C16 H9 Cl N4 O S3 c1cc(sc1)C....
595 4GVJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
596 6DBM ic50 = 23 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
597 3NZ0 - IZA C18 H16 F N3 O CC(C)(C)c1....
598 4GJ2 Ki = 2.5 nM 0XH C16 H12 Cl2 F N3 O2 c1cc(c(c(c....
599 6DBK ic50 = 23 nM G5D C21 H23 N7 O2 CCNC(=O)c1....
600 3LXP - IZA C18 H16 F N3 O CC(C)(C)c1....
601 5WAL Ki = 0.0017 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
602 4GIH Ki = 0.0048 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
603 3C1X ic50 = 0.045 uM CKK C27 H27 F2 N7 O3 c1cc(ccc1C....
604 3LXN Ki = 4.4 nM MI1 C16 H20 N6 O C[C@@H]1CC....
605 4PY1 - 2YK C17 H16 N6 O2 S Cn1cc(cn1)....
606 4H1J ic50 = 1200 nM 0YH C26 H30 N6 O2 Cc1ccc(cc1....
607 3FZT ic50 = 637 nM 4JZ C24 H27 N7 O2 Cc1ccc(cc1....
608 3H3C ic50 = 140 nM P1E C19 H25 F3 N6 O2 S CNS(=O)(=O....
609 4H1M ic50 = 78 nM 0YJ C27 H32 N6 O2 Cc1ccc(cc1....
610 5TOB ic50 = 13 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
611 5TO8 ic50 = 3.1 nM 7FM C25 H26 F3 N7 O3 S CS(=O)(=O)....
612 3FZP - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
613 3FZS ic50 = 1.5 uM B96 C31 H37 N5 O3 Cc1ccc(cc1....
614 5FDP ic50 = 309 nM 5WR C28 H31 F3 N6 O C[C@@H]1CN....
615 6FIO ic50 = 0.03 uM DJH C25 H24 F3 N5 O3 Cc1cccc2c1....
616 6HP9 ic50 = 5.6 nM GKB C25 H21 F3 N6 O Cc1cn(cn1)....
617 6FIN - DJQ C27 H27 N7 O3 c1ccc(cc1)....
618 6FEW ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
619 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
620 4BKJ ic50 = 41 nM STI C29 H31 N7 O Cc1ccc(cc1....
621 6FEX ic50 = 0.029 uM D6Z C23 H20 Br F3 N6 O3 c1cc2c(c(c....
622 5BVN - 4VD C23 H20 F N5 O2 Cc1ccc(cc1....
623 6GWR ic50 = 9.4 nM FEW C31 H31 F3 N6 O CC(C)c1ccc....
624 6FIL ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
625 5BVK - 4VC C13 H12 Cl N3 O c1ccc(c(c1....
626 5BVO - 4VE C24 H20 F N5 O2 Cc1ccc(cc1....
627 6FIQ - DJW C27 H27 F3 N6 O4 COc1ccc2c(....
628 5BVW - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
629 3ZOS - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
630 3KRL ic50 = 0.8 nM KRL C22 H27 N5 O2 CN1CCN(CC1....
631 3DPK ic50 = 4.1 nM 8C5 C27 H34 N6 O3 CONC(=O)C1....
632 2I0Y - 5CN C19 H21 N3 O3 CC1CCN(CC1....
633 3BEA ic50 = 0.003 uM IXH C29 H31 N7 O2 C[C@H]1CN(....
634 6T2W ic50 = 0.00000001 M M9T C20 H25 N5 O3 Cc1cc(ccc1....
635 2I1M - 5CN C19 H21 N3 O3 CC1CCN(CC1....
636 3KRJ ic50 = 1 nM KRJ C22 H25 N5 O c1cc(c(cc1....
637 3LCD ic50 = 40 nM BDY C27 H30 Cl2 N6 O c1cc(c(c(c....
638 6IG8 - A7O C30 H34 N2 O6 COc1cc(ccc....
639 6NE7 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
640 2IVS - ACK C10 H12 N5 O6 P c1nc(c2c(n....
641 2X2L ic50 = 5.3 uM X2L C16 H14 N2 O2 COc1ccc(cc....
642 6NJA - ADE C5 H5 N5 c1[nH]c2c(....
643 6FEK - ADN C10 H13 N5 O4 c1nc(c2c(n....
644 2IVU Ki = 375 nM ZD6 C22 H24 Br F N4 O2 CN1CCC(CC1....
645 4CKJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
646 2X2M ic50 = 0.17 uM X2M C15 H14 N2 O Cc1cc([nH]....
647 6NEC - XIN C31 H33 N5 O4 CN1CCN(CC1....
648 2IVV - PP1 C16 H19 N5 Cc1ccc(cc1....
649 4CKI - ADN C10 H13 N5 O4 c1nc(c2c(n....
650 5VAM - 92J C28 H29 F3 N4 O4 Cc1c(cc(cn....
651 5JSM ic50 = 260 nM 6NB C52 H48 F4 N6 O10 S2 CCCS(=O)(=....
652 4CQE Kd < 3 nM CQE C30 H28 F3 N5 O3 S2 CC(=O)Nc1c....
653 5VAL - 92D C26 H30 N4 O2 Cc1ccc(cc1....
654 5HID - B1E C27 H25 N5 O2 Cc1ccc(cc1....
655 6N0P Kd = 1.3 nM K81 C25 H25 F3 N4 O4 Cc1ccc(cc1....
656 2H8H ic50 = 2.7 nM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
657 4Y93 - 746 C34 H37 N5 O4 Cc1c(cccc1....
658 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
659 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 C[C@H](C(C....
660 5LWM ic50 = 9 nM 79T C24 H24 N6 O2 CN(C)C(=O)....
661 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 C[C@@H](C1....
662 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O C[C@@H]1CC....
663 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 C[C@H](C(=....
664 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O C[C@@H](C(....
665 6GLB ic50 = 129 nM F48 C21 H21 N5 O c1cc(oc1CC....
666 6HZV ic50 = 59 nM GYW C20 H19 N7 O3 c1cc2ncc(n....
667 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 C[C@H](C(=....
668 6DB3 ic50 = 56 nM G54 C17 H15 N5 C[C@@]1(CC....
669 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 C[C@@H](C1....
670 4QT1 ic50 = 7 nM 3C9 C16 H24 N6 O3 S CC(C)CS(=O....
671 5LWN ic50 = 17 nM 79R C25 H26 N6 O2 C[C@@H]1CC....
672 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
673 6GL9 ic50 = 135 nM F3W C23 H21 N5 c1cc(cc(c1....
674 6NY4 ic50 ~ 3 nM Z3A C18 H20 N4 O3 C[C@H]([C@....
675 6GLA ic50 = 27 nM F4B C21 H19 N5 O c1cc(oc1/C....
676 4CSV Ki = 910 nM STI C29 H31 N7 O Cc1ccc(cc1....
677 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
678 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
679 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
680 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
681 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
682 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
683 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
684 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
685 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
686 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
687 3MJ1 Kd = 2.1 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
688 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
689 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
690 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
691 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
692 4RFM Ki = 0.09 nM 3P6 C25 H27 F2 N5 O3 S C[C@@]12Cc....
693 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
694 4QD6 Ki = 2.3 nM 30T C26 H27 N5 O3 S c1ccc(cc1)....
695 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
696 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
697 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
698 4MF1 Ki = 1.9 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
699 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
700 3MJ2 Kd = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
701 4M0Y Kd = 8.2 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
702 1BYG - STU C28 H26 N4 O3 C[C@@]12[C....
703 4U0I ic50 < 11 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
704 1T46 - STI C29 H31 N7 O Cc1ccc(cc1....
705 6KLA - DJX C19 H23 N7 S CCN1CCN(CC....
706 3G0E Kd = 20 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
707 4HVS ic50 = 0.016 uM 647 C21 H17 F3 N4 c1cc2c(c[n....
708 6MOB - JWY C24 H21 Cl F N5 O2 CCN1c2cc(n....
709 1JPA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
710 6KZD ic50 = 2.95 nM DZ6 C36 H37 N7 O Cc1c(cccc1....
711 4YMJ ic50 = 83 nM 4EJ C20 H15 N5 c1ccc(cc1)....
712 6KZC ic50 = 11.46 nM DZC C28 H25 F3 N6 O Cc1c(cccc1....
713 3PLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
714 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
715 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
716 6GQJ - F82 C25 H27 N5 O5 CC(C)n1cc(....
717 6GQM - F8H C24 H26 F N7 O3 CC(C)c1cn(....
718 6GQL - F8B C23 H24 N6 O4 CC(C)c1cn(....
719 6GQK - F88 C23 H23 N5 O4 CCn1cc(cn1....
720 6FNM - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
721 2VX1 ic50 = 0.22 uM 7X8 C18 H14 Cl N5 O3 c1cc(cc(c1....
722 6FNI Kd = 6 nM DXH C26 H20 F3 N7 O Cc1ccc(cc1....
723 2YN8 - STU C28 H26 N4 O3 C[C@@]12[C....
724 2VWV ic50 = 16 uM 7X3 C19 H20 Cl N5 O4 COc1ccc(cc....
725 2VX0 ic50 = 0.58 uM 7X7 C21 H20 Cl N5 O3 c1cc(cc(c1....
726 2X9F ic50 = 0.061 uM X9F C18 H16 N6 O2 S CS(=O)(=O)....
727 2VWU ic50 = 0.35 uM 7X1 C24 H27 Cl N4 O4 COc1cc2c(c....
728 2VWX ic50 = 0.04 uM 7X4 C17 H14 Cl N5 O4 S c1cc(cc(c1....
729 4BB4 - 32W C23 H21 N5 O2 COCCNC(=O)....
730 2VWW ic50 = 0.24 uM 7X2 C20 H19 Cl N4 O5 COc1cc(cc(....
731 6FNJ Kd = 142 nM DWT C26 H20 F3 N7 O Cc1ccc(cc1....
732 2XVD ic50 = 0.002 uM AS6 C26 H33 N5 O4 S Cc1ccc(cc1....
733 2VWZ ic50 = 0.794 uM 7X6 C18 H16 Cl N5 O4 S CS(=O)(=O)....
734 2VWY ic50 = 0.09 uM 7X5 C18 H15 Cl N4 O4 S CS(=O)(=O)....
735 4AW5 ic50 = 765 nM 30K C30 H31 N5 O2 CCN1CCC(CC....
736 3ZEW - STU C28 H26 N4 O3 C[C@@]12[C....
737 6FNK - DXK C11 H10 N6 Cn1c2c(cn1....
738 2OFU ic50 ~ 3 uM 1N9 C37 H46 N6 O7 Cc1cccc(c1....
739 2OF2 ic50 = 0.081 uM 547 C25 H26 N4 O c1ccc(cc1)....
740 3BYS ic50 = 0.5 nM AM5 C31 H30 F3 N7 O2 Cc1ccc(cc1....
741 3B2W ic50 = 0.6 nM 9NH C31 H29 F4 N7 O3 Cc1ccc(cc1....
742 1QPJ - STU C28 H26 N4 O3 C[C@@]12[C....
743 1QPE ic50 = 20 nM PP2 C15 H17 Cl N5 CC(C)(C)n1....
744 3BYU ic50 = 0.8 nM AM6 C32 H32 F3 N7 O2 Cc1ccc(cc1....
745 6PDJ - ODJ C25 H22 N6 O3 Cc1cc(ccc1....
746 1QPD - STU C28 H26 N4 O3 C[C@@]12[C....
747 3BYM ic50 = 0.006 uM AM0 C25 H23 N7 O3 COc1cc(cc(....
748 2ZM1 ic50 = 220 nM KSF C18 H13 Cl N4 c1ccc(cc1)....
749 1QPC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
750 2OFV ic50 = 0.2 nM 242 C23 H17 F3 N4 O Cc1ccc(cc1....
751 3KXZ ic50 = 0.035 uM 925 C28 H32 N6 O3 CC1(CC(CC(....
752 3MPM ic50 = 30 nM 5LK C23 H26 N6 O CN1CCN(CC1....
753 3BYO ic50 = 7 nM AM9 C31 H30 N8 O Cc1cccc(c1....
754 2OG8 ic50 = 0.5 nM 1N8 C30 H31 F3 N6 O2 CCN(CC)CC(....
755 4C3F - 7KW C19 H15 N5 c1ccc(cc1)....
756 5VO1 Ki = 0.007 uM 9FS C20 H24 F3 N5 O CC(C)n1c(c....
757 5CEQ Ki = 0.042 uM 50F C22 H28 N6 O c1cnc(cc1C....
758 5CEP Ki = 0.145 uM 50E C17 H22 F3 N5 CC(C)n1c(c....
759 5CEO Ki < 0.0005 uM 50D C23 H26 F2 N6 O c1cnc(cc1C....
760 4QRC - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
761 6IUP ic50 = 23.1 nM AX0 C24 H20 N6 O3 Cc1ccc2c(c....
762 4TYJ - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
763 4UXQ Kd = 16 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
764 5JKG ic50 < 6.4 nM 6LF C21 H19 Cl2 N5 O2 C[C@H](c1c....
765 6JQR - C6F C29 H44 N8 O3 CCc1c(nc(c....
766 4AT4 ic50 = 0.012 uM T6E C20 H13 F4 N5 O S c1cc(ccc1c....
767 4AT3 ic50 = 0.004 uM LTI C16 H18 N4 O2 S2 c1ccc2c(c1....
768 4AT5 ic50 = 0.038 uM MUJ C20 H22 N4 O3 COc1ccc(cc....
769 4UXL Ki < 0.025 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
770 3ZBF Ki = 2.1 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
771 2P4I ic50 = 317 nM MR9 C29 H27 F3 N6 O3 Cc1ccc(cc1....
772 6MWE - 919 C30 H28 F N7 O3 CC(C)(C)c1....
773 4X3J - 3WR C21 H14 F4 N6 O2 c1cc(ccc1N....
774 2OO8 ic50 = 1 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
775 5MJA ic50 = 220 nM 7O3 C16 H12 Cl2 N4 O2 c1cc2c(cc1....
776 3QUP ic50 = 0.476 uM LUN C25 H27 F N4 O c1ccc2c(c1....
777 4FEQ ic50 = 1.1 uM 0T8 C24 H33 N7 O2 c1cnccc1CC....
778 4FF8 ic50 = 0.4 uM 14S C25 H34 N6 O3 COc1ccccc1....
779 4IBM ic50 = 1.8 uM IR1 C18 H10 N6 O c1ccc(cc1)....
780 5HHW - 60O C26 H33 N5 O2 c1cc(cc(c1....
781 1I44 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
782 3EKK ic50 = 2 nM GS2 C27 H27 F N8 O3 CNC(=O)c1c....
783 4XLV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
784 5E1S Kd = 12 nM 5JA C29 H37 N9 O C[C@@H]1Cc....
785 3EKN ic50 = 2 nM GS3 C27 H31 F N8 O2 CC(C)N1CCN....
786 4K33 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
787 6N33 - 622 C21 H19 F2 N5 O Cc1cc2c(c[....
788 5ZJ6 - VSE C29 H34 N6 O CN1CCN(CC1....
789 2HK5 ic50 = 46 nM 1BM C24 H29 N7 O CCN(CC)CCN....
790 2XYU ic50 = 4.5 uM Q9G C17 H17 F N4 Cc1ccc(cc1....
791 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: 6
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 6ES0 BW8 40.0631
5 2VN9 GVD 40.5316
6 6F3G CJN 41.0169
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