Receptor
PDB id Resolution Class Description Source Keywords
1SNU 2.5 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF THE UNPHOSPHORYLATED INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN HOMO SAPIENS PROTEIN KINASE IMMUNOLOGY TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF INTERLEUKIN-2 TYROSINE KINASE AND THEIR IMPLICATIONS FOR THE DESIGN OF SELECTIVE INHIBITORS. J.BIOL.CHEM. V. 279 18727 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STU A:301;
B:621;
Valid;
Valid;
none;
none;
submit data
466.531 C28 H26 N4 O3 C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RFM 2.1 Å EC: 2.7.10.2 ITK KINASE DOMAIN IN COMPLEX WITH COMPOUND 1 N-{1-[(1,1-DIOX 2-YL)(PHENYL)METHYL]-1H- PYRAZOL-4-YL}-5,5-DIFLUORO-5A-METH4 AH,5H,5AH,6H-CYCLOPROPA[F]INDAZOLE-3-CARBOXAMIDE HOMO SAPIENS KINASE TRANSFERASE-INHIBITOR COMPLEX
Ref.: TETRAHYDROINDAZOLES AS INTERLEUKIN-2 INDUCIBLE T-CE INHIBITORS. PART II. SECOND-GENERATION ANALOGUES WI ENHANCED POTENCY, SELECTIVITY, AND PHARMACODYNAMIC MODULATION IN VIVO. J.MED.CHEM. V. 58 3806 2015
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
2 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
3 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
4 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
5 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
6 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
7 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
8 3MJ1 Kd = 15 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
9 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
10 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
11 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
12 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
13 4RFM Ki = 0.00009 uM 3P6 C25 H27 F2 N5 O3 S C[C@@]12Cc....
14 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
15 4QD6 Ki = 2.3 nM 30T C26 H27 N5 O3 S c1ccc(cc1)....
16 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
17 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
18 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
19 4MF1 Ki = 0.7 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
20 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
21 3MJ2 ic50 = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
22 4M0Y Kd = 0.35 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
70% Homology Family (75)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4OTF ic50 = 0.006 uM 2VL C33 H36 N6 O3 S Cc1c(cccc1....
2 6X3N ic50 = 0.083 nM ULV C26 H22 F3 N7 O3 c1cc(ccc1c....
3 5BQ0 ic50 = 15 nM 4US C25 H23 Cl N4 O2 CN1CCN(CC1....
4 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
5 6NFH - KLM C26 H28 N6 O4 CN(C)C[C@@....
6 6X3O ic50 = 0.21 nM ULY C28 H26 F3 N7 O3 COc1cc(ccc....
7 5JRS ic50 = 4 nM 6MV C30 H23 F N4 O3 CC(C)(c1cc....
8 6E4F ic50 = 0.85 nM HRA C25 H23 Cl N4 O4 c1ccc(cc1)....
9 5FBO ic50 = 0.31 nM 5WH C29 H27 F4 N7 O2 C[C@H]1CC[....
10 5KUP ic50 = 7.2 nM 6XL C28 H26 F N7 O3 CC(C)(C)c1....
11 6S90 ic50 = 13 nM L0Z C36 H38 N6 O2 Cc1c(cccc1....
12 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
13 4NWM ic50 = 0.008 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
14 5P9H - 7G7 C34 H37 F N8 O3 CC(C)(C)c1....
15 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
16 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
17 4ZLY ic50 = 3.5 uM 4RU C9 H8 N4 O c1ccc2c(c1....
18 5U9D ic50 = 0.00055 uM 83P C27 H24 N6 O3 CNC(=O)[C@....
19 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
20 5VGO Ki = 1.28 nM 9B1 C29 H29 N5 O3 S CC1(Cc2c3c....
21 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
22 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
23 5P9G - 7G6 C35 H35 F N6 O3 CN1CCN(CC1....
24 6HRP - GMQ C34 H34 F N7 O5 CC(C)(C)c1....
25 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
26 5VFI Ki = 0.91 nM 9AJ C37 H44 N8 O4 C[C@H]1CN(....
27 6VXQ ic50 = 3700 nM RQS C20 H16 N4 O c1ccc(cc1)....
28 6NZM ic50 = 0.001 uM L9S C29 H33 F N8 O2 c1cc(cc(c1....
29 6NFI - KLP C21 H22 N4 O3 S Cc1cccc(c1....
30 5T18 ic50 = 0.5 nM 73T C32 H30 F2 N4 O4 Cc1c(cccc1....
31 5P9I - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
32 6HRT - GMW C37 H37 F N6 O5 CC(C)(C)c1....
33 4Z3V ic50 = 4 nM 4L6 C17 H14 N6 O Cc1cc2cn[n....
34 6W06 ic50 = 142 nM S5M C24 H24 N4 O CC(C)(C)c1....
35 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
36 5BPY - 4UQ C33 H40 N6 O4 CC(C)(C)c1....
37 6OMU ic50 = 8.9 nM MZJ C25 H27 N5 O2 C=CC(=O)N1....
38 5FBN ic50 = 0.27 nM 5WF C29 H28 F3 N7 O3 CC1(COC1)C....
39 6DI0 - GJG C12 H17 N3 O c1cc(ncc1C....
40 6W07 ic50 = 1 nM S9A C23 H29 N7 O2 Cc1cc(ccc1....
41 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
42 6X3P ic50 = 0.58 nM UM4 C30 H28 F3 N7 O3 c1cc(c(cc1....
43 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
44 4ZLZ ic50 = 100 nM 4RV C15 H13 N5 O Cc1ccncc1c....
45 4Y95 - 746 C34 H37 N5 O4 Cc1c(cccc1....
46 4RX5 ic50 = 3 nM 3YO C27 H24 F N7 O2 S Cc1c(ccc(c....
47 6XE4 ic50 = 2.4 nM V1G C28 H27 F2 N5 O4 CC(C)(C)c1....
48 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
49 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
50 5P9F - 2VL C33 H36 N6 O3 S Cc1c(cccc1....
51 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
52 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
53 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
54 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
55 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
56 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
57 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
58 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
59 3MJ1 Kd = 15 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
60 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
61 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
62 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
63 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
64 4RFM Ki = 0.00009 uM 3P6 C25 H27 F2 N5 O3 S C[C@@]12Cc....
65 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
66 4QD6 Ki = 2.3 nM 30T C26 H27 N5 O3 S c1ccc(cc1)....
67 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
68 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
69 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
70 4MF1 Ki = 0.7 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
71 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
72 3MJ2 ic50 = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
73 4M0Y Kd = 0.35 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
74 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
75 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
50% Homology Family (836)
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 6LVK ic50 = 4.2 nM EVC C28 H39 N9 O4 S CCNS(=O)(=....
7 4J98 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
8 2PVY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
9 2PY3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
10 2PZ5 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
11 2PWL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
12 5UGL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 5UI0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
14 3CLY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
15 3RI1 Kd = 5 uM 3RH C18 H15 N3 c1ccc(cc1)....
16 1Y6B ic50 = 38 nM AAX C25 H24 N4 O4 S COc1ccc(cc....
17 3VHE ic50 = 6.2 nM 42Q C21 H15 F4 N5 O2 Cn1ccc2c1c....
18 1Y6A ic50 = 0.022 uM AAZ C23 H21 N3 O4 S CCS(=O)(=O....
19 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
20 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
21 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
22 5HU9 Kd = 24.2 nM 66K C32 H36 F3 N5 O3 Cc1ccc(cc1....
23 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
24 6BL8 - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
25 3PYY - 3YY C18 H13 F N4 O2 c1ccc(cc1)....
26 1OPJ - MYR C14 H28 O2 CCCCCCCCCC....
27 3CS9 ic50 < 33 uM NIL C28 H22 F3 N7 O Cc1ccc(cc1....
28 3MSS - STI C29 H31 N7 O Cc1ccc(cc1....
29 6NPV ic50 = 0.00000001 M KWP C17 H16 Cl2 N4 O2 c1cc(c(cc1....
30 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
31 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
32 6NPE ic50 = 0.00000001 M KWD C12 H7 Cl2 N3 O S c1cc(c(cc1....
33 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
34 4WA9 Ki = 3800 pM AXI C22 H18 N4 O S CNC(=O)c1c....
35 4XLI Kd = 0.17 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
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 6HD4 - FYW C21 H18 F3 N5 O3 c1cc(ccc1N....
42 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
43 6NPU ic50 = 0.00000001 M KWV C11 H11 Cl2 N3 O CC(=O)NC1=....
44 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
45 4TWP Ki = 100 pM AXI C22 H18 N4 O S CNC(=O)c1c....
46 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
47 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
48 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
49 6HD6 - FYH C19 H19 F3 N2 O3 c1cc(cc(c1....
50 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
51 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
52 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
53 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
54 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
55 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
56 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
57 5NK3 Kd = 38.02 nM 92Q C22 H22 Cl N5 O2 S Cc1cccc(c1....
58 5NKB Kd = 0.759 nM 8ZT C25 H28 Cl N5 O3 S Cc1cccc(c1....
59 5IA3 Kd = 46 nM P17 C21 H16 Cl2 N4 O S CN1c2c(cnc....
60 5I9V - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
61 5NK8 Kd = 0.229 uM 90Z C27 H32 Cl N5 O3 S Cc1cccc(c1....
62 5I9Z Kd = 9 nM 627 C26 H30 N6 O3 CN1CCN(CC1....
63 5IA5 Kd = 25 nM GV0 C33 H37 F2 N7 O4 CN1CCN(CC1....
64 5I9W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
65 5NK4 Kd = 1.995 nM 90E C23 H22 Cl F2 N5 O2 S Cc1cccc(c1....
66 5IA2 Kd = 19 nM L66 C22 H19 N5 O4 Cc1ccc(cc1....
67 5NKA Kd = 3.47 uM 91H C25 H25 Cl N4 O4 S Cc1cccc(c1....
68 5NKI Kd = 18.62 nM 8ZW C22 H23 Cl N4 O4 S2 Cc1cccc(c1....
69 5NK6 Kd = 0.158 uM 90W C24 H25 Cl N4 O3 S Cc1cccc(c1....
70 5I9X Kd = 30 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
71 6FNG Kd = 73 nM DWT C26 H20 F3 N7 O Cc1ccc(cc1....
72 5NKH Kd = 25.7 nM 8ZQ C29 H29 Cl N6 O2 S Cc1cccc(c1....
73 5IA1 Kd = 530 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
74 5NK2 Kd = 0.182 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
75 5IA0 Kd = 187 nM A5B C27 H20 Cl F N4 O4 COc1cccc(c....
76 5I9Y Kd = 2.8 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
77 5NK9 Kd = 0.724 uM 912 C25 H29 Cl N4 O3 S Cc1cccc(c1....
78 1MQB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
79 5NK5 - 90K C24 H20 Cl N5 O2 S Cc1cccc(c1....
80 5NKG Kd = 20.89 nM 8ZK C25 H28 Cl N5 O2 S CCc1cc(cc(....
81 5NJZ Kd = 16.6 nM 8ZH C23 H24 Cl N5 O2 S Cc1cccc(c1....
82 6FNH - DXK C11 H10 N6 Cn1c2c(cn1....
83 5NKF - 8ZN C24 H23 Cl F3 N5 O2 S Cc1cccc(c1....
84 5NK0 - 91E C23 H26 Cl N5 O2 S Cc1cccc(c1....
85 5NKE - 90B C23 H23 Br Cl N5 O2 S Cc1cccc(c1....
86 5NK7 Kd = 0.468 nM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
87 5NK1 - 90N C22 H19 Cl N8 O2 S Cc1cccc(c1....
88 5NKD Kd = 26.3 nM 91K C24 H23 Cl N4 O4 S Cc1cccc(c1....
89 6FNF Kd = 13 nM DXH C26 H20 F3 N7 O Cc1ccc(cc1....
90 5NKC Kd = 18.62 nM 90T C23 H21 Cl N4 O4 S Cc1cccc(c1....
91 5IA4 Kd = 52 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
92 5BMM Ki = 0.01 uM FUM ALC PFF PPN ORN n/a n/a
93 3G6H ic50 = 4.6 nM G6H C32 H28 F3 N7 O4 Cc1ccc(cc1....
94 4FIC ic50 = 20 uM 0UL C11 H9 N5 c1ccc(cc1)....
95 3DQX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
96 4MXO Kd = 0.73 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
97 3F6X - IHH C22 H19 N7 c1ccc2c(c1....
98 3G6G ic50 = 2.8 nM G6G C35 H37 N9 O2 Cc1ccc(cc1....
99 3U51 Kd = 3.1 uM 08X C38 H49 N9 O7 c1ccc(cc1)....
100 3F3T Kd = 26 uM 1AU C24 H25 N5 O CC(C)(C)c1....
101 3EL8 ic50 = 25 nM PD5 C22 H20 F3 N7 O CC(C)n1c2c....
102 4LGG ic50 = 3 nM VGG C17 H21 N5 Cc1cccc(c1....
103 2OIQ Kd = 42 uM STI C29 H31 N7 O Cc1ccc(cc1....
104 4YBK Kd = 15 nM 4B7 C27 H29 N7 O3 S Cc1nc(cc(n....
105 1YOL - S03 C25 H27 N5 O2 COc1cccc(c....
106 3F3U Kd = 18 uM 1AW C20 H23 N5 O CC(C)(C)c1....
107 3U4W ic50 = 0.13 uM 08L C36 H46 N8 O8 c1ccc(cc1)....
108 4O2P Ki = 0.2 uM 11V C25 H27 Cl N6 O S c1ccc(cc1)....
109 2BDJ ic50 = 0.00045 uM HET C26 H30 N5 O2 P CP(=O)(C)c....
110 2BDF ic50 = 0.067 uM 24A C20 H28 N6 O5 P2 CCn1cnc2c1....
111 6WIW Ki = 7.7 nM I14 C20 H21 N5 O2 Cc1ccc(cc1....
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 Kd = 11 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
118 3DQW - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
119 5HES Kd = 29 nM 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
120 6JUU ic50 = 4 nM C9R C25 H17 F2 N7 O3 S COc1c2cc(c....
121 6JUT ic50 = 2.1 nM C9O C21 H14 Br F2 N7 O3 S COc1c2cc(c....
122 4ZSA ic50 = 15 nM 4UT C27 H29 N5 O2 CCN1CCN(CC....
123 5Z0S - 960 C16 H11 Cl N8 O2 S Cn1cc(cn1)....
124 6ITJ ic50 = 10.8 nM AXU C21 H17 N5 O2 Cc1ccc2c(c....
125 5B7V ic50 = 9.3 nM LWJ C20 H16 N6 O Cc1[nH]c2c....
126 3JS2 - VM1 C10 H7 N O2 S c1cc(sc1)c....
127 5A4C Kd = 5.7 nM XOJ C27 H39 N7 O3 CCN(CC)CCC....
128 5O4A - 9K8 C19 H20 F N5 O7 S CCc1ccc(cc....
129 5AM7 Kd = 64.5 nM 38O C21 H21 F N6 O CN1CCN(CC1....
130 1FGI - SU1 C17 H16 N2 O3 Cc1c[nH]c(....
131 4V04 Kd = 7.7 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
132 4RWL Kd = 8 nM 3ZC C26 H25 N3 O4 CNC(=O)c1c....
133 4NKS Kd = 69.1 nM 2M2 C20 H21 N7 O Cc1cc(on1)....
134 4F64 ic50 = 63 nM 0S8 C16 H20 Br N7 O2 Cc1cc(on1)....
135 5EW8 - 5SF C25 H30 N6 O2 CC(C)NCCN(....
136 4RWJ Kd = 2 nM 66T C26 H33 N5 O3 C[C@@H]1CN....
137 3RHX ic50 = 0.84 uM 3RH C18 H15 N3 c1ccc(cc1)....
138 4NKA Kd = 447 nM 2K7 C22 H25 N7 O3 Cc1cc(on1)....
139 2FGI Ki = 36.4 nM PD1 C28 H41 N7 O3 CCN(CC)CCC....
140 3C4F ic50 = 1.9 uM C4F C15 H14 N2 O COc1cccc(c....
141 6MZQ ic50 = 3.9 nM TZ0 C22 H22 N6 O3 COc1cc(cc(....
142 1AGW - SU2 C20 H21 N3 O2 c1ccc2c(c1....
143 5UR1 ic50 = 1.06 nM YY9 C31 H35 Cl2 N7 O4 CN(C)C/C=C....
144 4F65 ic50 = 2.5 nM 0S9 C20 H20 Br N7 O Cc1cc(on1)....
145 5AM6 Kd = 185 nM 38O C21 H21 F N6 O CN1CCN(CC1....
146 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
147 6XVJ - O35 C28 H30 N4 O4 Cc1cc(cc(c....
148 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
149 6GQO - F82 C25 H27 N5 O5 CC(C)n1cc(....
150 3BE2 ic50 = 2 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
151 2P2H ic50 = 68 nM 994 C23 H22 N6 O3 COc1cc(cc(....
152 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
153 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
154 6GQQ - F8B C23 H24 N6 O4 CC(C)c1cn(....
155 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
156 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
157 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
158 3WZE Kd = 33 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
159 1YWN ic50 ~ 0.003 uM LIF C27 H19 F4 N5 O3 COc1ccc(cc....
160 3WZD Kd = 2.1 nM LEV C21 H19 Cl N4 O4 COc1cc2c(c....
161 5EW3 ic50 = 0.0012 uM 5T2 C20 H16 F3 N3 O c1ccc(c(c1....
162 6XVK ic50 = 0.538 uM O3E C31 H28 N4 O5 CC#CC1=Nc2....
163 3CJF ic50 = 6.3 nM SAV C21 H22 N6 O3 Cc1c2ccc(c....
164 2QU6 Ki = 3 nM 857 C26 H26 Cl N5 O4 CNC(=O)c1c....
165 3U6J - 03X C29 H25 F N4 O5 CC1=C(C(=O....
166 3EWH ic50 = 69 nM K11 C28 H20 F3 N7 O CNc1nccc(n....
167 2P2I ic50 = 38 nM 608 C24 H20 N4 O2 c1ccc(cc1)....
168 3C7Q ic50 = 21 nM XIN C31 H33 N5 O4 CN1CCN(CC1....
169 6GQP - F88 C23 H23 N5 O4 CCn1cc(cn1....
170 6DKI - GOD C20 H19 F5 N4 O4 CNC(=O)c1c....
171 5JFV ic50 = 6 nM 6K1 C23 H21 Cl N6 O2 CC(C)n1cc(....
172 5KMJ - 6UF C20 H17 N3 O S c1ccc2c(c1....
173 6D1Z - FQM C22 H17 Cl N6 O2 c1ccc(cc1)....
174 6D20 - FQG C26 H23 Cl2 N5 O3 CC(C)(CNC(....
175 4YNE - 4EK C21 H18 F N5 c1ccnc(c1)....
176 5KMK - 6UG C20 H13 F5 N2 O Cc1ccc(c(n....
177 4PMM Kd = 27 nM 31V C27 H26 N8 O2 Cc1cn(cn1)....
178 6NSS ic50 = 1.4 nM L0M C27 H21 N5 O2 Cc1c2nc(c(....
179 4PMP Kd ~ 400 nM 31W C21 H18 F3 N3 O2 S c1cc(cc(c1....
180 5H3Q ic50 = 6 nM 7HF C26 H31 F2 N5 O3 CCOc1c(c(n....
181 6D1Y - FQJ C17 H13 Cl2 N3 O Cc1cc(n(n1....
182 6NSP ic50 = 44.1 pM L0P C24 H20 N4 O2 S Cc1cccn2c1....
183 5KMI - 6UE C25 H20 N4 O Cc1ncc(c(n....
184 6PL1 Kd = 0.000000064 M OOJ C20 H15 F3 N6 O2 S2 CC1=CN2C(=....
185 5KML - 6UH C19 H16 F3 N3 O2 Cc1c(c(no1....
186 4PMT ic50 = 997 nM 31Y C23 H23 N7 O c1cc(cnc1)....
187 5KMM - 6UJ C22 H18 N4 O Cc1ncc(c(n....
188 4YPS - 4F6 C23 H18 F N5 O c1cc(cc(c1....
189 6J5L ic50 = 1.6 nM B9C C24 H27 N7 O2 S CS(=O)(=O)....
190 5JFW ic50 = 62 nM 6K2 C24 H20 N6 O2 CC(C)n1cc(....
191 5JFX ic50 = 6 nM 6K4 C23 H22 Cl N7 O3 CC(C)(CO)n....
192 5KMN - 6UK C20 H17 F3 N4 O Cc1ncc(c(n....
193 5JFS ic50 = 2 nM 6K0 C22 H19 F2 N7 O2 CC(C)n1cc(....
194 6NPT ic50 = 68.3 pM KWY C26 H25 N3 O CC(C)(C)c1....
195 4F1T - H52 C16 H21 N3 O2 S Cc1cncc2c1....
196 4YZN ic50 = 15.4 uM 4K5 C20 H21 F4 N5 O3 COc1cc(c(c....
197 4F1M - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
198 4F1O - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
199 4F0F - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
200 6HZU ic50 = 5.5 nM GYQ C18 H17 N7 O2 c1c2c(nc(n....
201 6N78 Ki = 0.21 nM KEP C18 H13 Cl F2 N6 O2 Cn1cc(c(n1....
202 4IVB Ki = 1.9 nM 1J5 C17 H19 N5 O C[C@H](c1n....
203 4EI4 Ki = 1.8 nM 0Q2 C15 H18 N4 O Cc1nc2cnc3....
204 4IVC Ki = 0.1 nM 1J6 C18 H21 N5 O C[C@H](c1n....
205 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O C[C@@H]1CC....
206 4K77 Ki = 235 nM 1Q4 C13 H16 N4 O c1nc2c(c(n....
207 4EHZ Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
208 6N77 Ki = 0.57 nM KEJ C18 H15 Cl N6 O2 Cn1cc(c(n1....
209 5WO4 ic50 = 0.1 nM B7V C17 H18 Cl N5 O3 COc1cc(ccc....
210 6DBN ic50 = 17 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
211 6N7C Ki = 0.67 nM KF1 C21 H16 N6 O2 COc1cc2ccc....
212 4I5C Ki = 1.5 nM C5I C15 H15 N7 O c1c[nH]c2c....
213 4IVD Ki = 0.3 nM 15T C19 H23 N5 O C[C@H](c1n....
214 5E1E ic50 = 0.022 uM 5JG C20 H23 Cl F N5 O2 COc1cc(c(c....
215 6W8L ic50 = 774 nM R4S C18 H22 F N7 O2 c1c(cn(n1)....
216 6SMB ic50 = 0.018 uM LKQ C25 H24 N8 O2 Cc1cnc(nc1....
217 6N7A Ki = 4.3 nM KEV C19 H17 Cl N6 O2 Cn1cc2cncc....
218 6N7D Ki = 0.3 nM KF4 C18 H14 N8 O2 COc1cc2c(c....
219 6N7B Ki = 0.6 nM KEY C18 H15 Cl N6 O2 Cn1cc(c(n1....
220 4E5W Ki = 22 nM 0NT C21 H28 N6 O CC(C)N1CCC....
221 6BBU ic50 = 0.029 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
222 5HX8 ic50 = 0.1 nM 66P C18 H21 N5 O c1ccc2c(c1....
223 6TPF ic50 = 0.0064 uM NTQ C17 H20 F2 N4 O2 Cc1c2c(n[n....
224 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
225 4E4N Ki = 0.9 nM 0NL C18 H23 N5 O2 CC(C)(C)OC....
226 6AAH - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
227 4E4L Ki = 1.7 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
228 4FK6 Ki = 0.2 nM 0UJ C17 H21 N5 O2 S CS(=O)(=O)....
229 6N79 Ki = 0.21 nM KES C17 H11 Cl F2 N6 O2 c1cnc2c(cn....
230 6TPD ic50 = 2.2 uM QZ8 C13 H11 N3 O Cc1c2c(n[n....
231 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
232 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
233 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
234 5CF6 ic50 = 8.2 nM 50O C20 H26 N6 O3 CNc1c2c(c3....
235 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
236 5TQ4 ic50 = 4.2 nM 7GY C16 H15 N3 O2 CCc1cc(ccc....
237 5USY - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
238 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O C[C@@H]1CC....
239 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
240 5CF5 ic50 = 2.5 nM 50W C23 H27 N7 O S CCn1c(cc2c....
241 6X8E ic50 = 65 nM UWP C20 H18 F3 N9 Cn1cc(cn1)....
242 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
243 4YTC - 4HW C18 H16 N8 c1ccc(cc1)....
244 4E6D Ki = 1.2 nM 0NU C16 H16 N6 O c1c[nH]c2c....
245 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
246 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
247 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
248 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
249 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
250 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
251 5CF8 ic50 = 1.1 nM 50V C23 H28 N8 O CCn1c(cc2c....
252 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
253 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
254 4BBF ic50 = 2.2 nM O19 C25 H28 N6 O2 c1cc(ccc1c....
255 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
256 6AAJ - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
257 5WEV Ki = 0.15 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
258 4E6Q Ki = 4.4 nM 0NV C20 H21 N5 c1ccc(cc1)....
259 5TQ5 ic50 = 58.8 nM 7GX C22 H20 N4 O2 CCc1cc(ccc....
260 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
261 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
262 5TQ6 ic50 = 123.6 nM 7GV C18 H26 N6 O C[C@@H]1CC....
263 4YTF Ki = 0.007 uM 4HZ C16 H13 Cl F4 N6 O C[C@@H](C(....
264 5AEP ic50 = 0.068 uM QUP C18 H14 Cl N5 O Cc1ccc(cc1....
265 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
266 6BBV ic50 = 0.803 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
267 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
268 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
269 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
270 5TQ8 ic50 = 23.1 nM 7GS C31 H31 F N8 O2 CCc1cc(c(c....
271 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
272 4YTH Ki = 0.002 uM 467 C17 H15 Cl F4 N6 O CC(C)(C(=O....
273 4IVA - 1J5 C17 H19 N5 O C[C@H](c1n....
274 4BBE ic50 = 3.6 nM 3O4 C22 H23 N5 O2 CC(=O)Nc1c....
275 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 C[C@@H](c1....
276 5CF4 ic50 = 40 nM 50Y C22 H30 N6 O2 CCn1c(cc2c....
277 5L3A Kd = 13 uM 6DP C8 H9 N3 O2 S CS(=O)(=O)....
278 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
279 4F09 Ki = 200 nM JAK C14 H17 N5 Cc1nc2cnc3....
280 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
281 5TQ7 - 7GT C24 H30 N6 O3 S C[C@@H]1CC....
282 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
283 2WGJ Ki = 0.002 uM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
284 4DEH ic50 = 612 nM 0JK C21 H17 N5 O c1ccc(cc1)....
285 4IWD ic50 = 1 nM 1JC C29 H28 N6 O3 S c1ccnc(c1)....
286 3F82 Ki = 4.6 nM 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
287 5YA5 ic50 = 0.19 uM 6TD C19 H15 N5 O S COc1ccc(cc....
288 4XYF - 44X C24 H22 F N5 O3 Cc1cc(on1)....
289 2RFS - AM8 C23 H22 Cl N3 O3 S Cc1c(c([nH....
290 6UBW ic50 < 1 nM 84S C21 H17 F2 N9 O Cn1cc(cn1)....
291 4R1V ic50 < 1 nM 3E8 C29 H28 N6 O2 CN1CCC(CC1....
292 3CTH ic50 = 0.035 uM 319 C20 H16 F2 N4 O3 c1cc(ccc1C....
293 4AOI Ki = 0.004 uM 4K0 C19 H12 N8 c1cc2c(c[n....
294 3DKC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
295 4XMO ic50 = 2 nM 46G C22 H17 F2 N5 O2 Cc1cc(on1)....
296 4R1Y ic50 = 400 nM 3EH C26 H34 N4 O5 S CCN(CC)CCC....
297 4GG5 ic50 = 0.93 nM 0J3 C22 H22 F3 N5 O2 CN1CCN(CC1....
298 4AP7 Ki = 0.011 uM F47 C17 H12 F N5 O c1cc(ccc1C....
299 6SDD - 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
300 3Q6W Kd = 27 nM Q6W C31 H30 N6 O2 c1ccnc(c1)....
301 3CD8 ic50 = 9 nM L5G C22 H17 N5 O2 COc1ccc2c(....
302 4EEV ic50 = 4.7 nM L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
303 3RHK ic50 = 520 nM M97 C23 H16 N3 O2 c1ccc2c(c1....
304 4GG7 ic50 = 6.5 nM 0J8 C23 H21 F3 N8 O2 c1cc(cc(c1....
305 3ZZE Ki = 0.0013 uM 6XP C18 H18 Cl N3 O3 Cc1ccc(c2c....
306 3U6I - 044 C30 H27 F N4 O5 CC1=C(C(=O....
307 4DEI ic50 = 1 nM 0JL C23 H22 N6 O3 S Cc1cc(sn1)....
308 2WD1 ic50 = 82 nM ZZY C14 H10 N4 O5 S c1ccc(c(c1....
309 3CE3 ic50 = 1.8 nM 1FN C25 H16 F2 N4 O3 c1cc(ccc1N....
310 3LQ8 ic50 = 0.4 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
311 3EFK Ki = 14 nM MT4 C28 H22 F2 N4 O4 CN1C(=O)C(....
312 3ZCL Ki = 0.0101 uM 5TF C17 H19 N7 C[C@@H](c1....
313 5UAB - 84M C16 H13 N7 O S c1ccn2c(c1....
314 5UAD - 84P C21 H19 N9 O Cn1cc(cn1)....
315 3ZC5 Ki = 0.0103 uM W9Z C20 H17 N7 C[C@@H](c1....
316 3U6H Ki = 1 nM 03X C29 H25 F N4 O5 CC1=C(C(=O....
317 3ZBX Ki = 0.006 uM 6XE C20 H13 F N6 c1cc2cc(cc....
318 1R0P Kd = 10 nM KSA C27 H21 N3 O5 C[C@@]12[C....
319 6SDE - V0L C17 H15 N9 C[C@@H](c1....
320 5HOR ic50 = 6 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
321 5HO6 ic50 = 204 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
322 3VW8 - DF6 C26 H23 N3 O4 S COc1cc2c(c....
323 3L8V ic50 = 0.008 uM L8V C23 H16 F3 N5 O2 c1cc(c(nc1....
324 5EYD ic50 = 1 nM 5T1 C23 H22 F N7 O3 C[C@H](c1n....
325 4DEG ic50 = 6 nM 0JJ C19 H16 N8 O S Cc1cc(sn1)....
326 5HLW ic50 = 23 nM 62E C26 H28 N8 O S3 CCN1CCC(CC....
327 5HNI ic50 = 10 nM 63B C20 H14 F N7 O2 S COC(=O)Nc1....
328 3R7O - M61 C28 H32 N6 O5 S CN(C[C@@H]....
329 3DKG - SX8 C18 H13 N7 S Cn1cc(cn1)....
330 5EOB ic50 = 0.24 nM 5QQ C20 H11 F3 N6 c1cc2cc(cc....
331 5HOA ic50 = 64 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
332 3ZXZ Ki = 0.004 uM KRW C19 H16 N8 O c1cc2cc(cc....
333 3DKF Ki = 2.7 nM SX8 C18 H13 N7 S Cn1cc(cn1)....
334 6SDC - 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
335 5EYC ic50 = 3 nM 5SZ C20 H15 F N6 O2 Cc1cc(on1)....
336 3CTJ ic50 = 0.11 uM 320 C22 H16 F2 N4 O3 c1cc(ccc1C....
337 2RFN ic50 = 5 nM AM7 C35 H35 F N4 O5 CN1C(=NC=C....
338 3QTI ic50 = 14 nM 3QT C20 H16 N6 Cn1cc(cn1)....
339 3CCN ic50 = 120 nM LKG C18 H14 N4 O c1ccc(cc1)....
340 3F66 ic50 = 0.9 uM IHX C20 H19 F3 N4 O CN1CCN(CC1....
341 2WKM ic50 = 9 nM PFY C32 H34 Cl2 N4 O4 S Cc1c([nH]c....
342 3I5N ic50 = 17 nM B2D C21 H17 N7 O COc1cc2c(c....
343 4KNB ic50 = 0.047 uM 1RU C23 H22 Cl2 F N5 O2 C[C@H](c1c....
344 6SD9 - 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
345 3TUC ic50 = 100 nM FPW C29 H24 N4 O5 COc1cc2c(c....
346 4YJQ - 4DK C24 H23 N7 O2 Cc1c(ocn1)....
347 4I0R ic50 = 14 nM 1B4 C19 H22 N4 O4 CC(C)NC(=O....
348 4YJP - 4DL C20 H19 N7 O3 S c1cc2c(cn[....
349 5C27 - GLU VAL TYR GLU SER n/a n/a
350 5LMB ic50 = 16 nM 6ZF C20 H25 N7 CN(C)c1ccc....
351 5TR6 ic50 = 3.2 nM 7KG C17 H21 F N6 O Cn1cc(cn1)....
352 5Y5U ic50 = 17.7 nM 8OU C20 H21 N7 O2 Cn1c2ccc(c....
353 4XG4 ic50 = 21.5 nM X4G C24 H30 F N5 O3 Cc1cc(cc(c....
354 4WNM Ki = 18 nM 3RT C24 H29 N7 O2 c1cc(n2c(c....
355 4YJT - 4DQ C20 H18 F N7 O2 S CCN(c1cccc....
356 4PV0 Kd = 4 nM CG4 C28 H23 N5 O5 COc1ccc(cc....
357 4FYO ic50 = 47 nM 0VF C25 H24 N6 O5 S COc1ccc(cc....
358 5LMA ic50 = 0.25 uM 6ZG C18 H21 N5 Cc1ccc(cc1....
359 5Y5T ic50 = 211 nM 8OR C20 H24 N6 O3 S CS(=O)(=O)....
360 3FQE Ki ~ 0.0125 uM P5C C18 H24 N6 O Cc1cccc(c1....
361 4FYN - 0VE C22 H23 N5 O2 CCN(CCO)c1....
362 4I0T ic50 = 26 nM 1B6 C18 H22 N6 O CC(C)(C)NC....
363 4YJS - 4DN C21 H21 N7 O3 S c1cc2c(cn[....
364 4FL1 Kd = 520 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
365 4RX8 ic50 = 35 nM 3YX C18 H22 N8 O c1cc2cc[nH....
366 5CXZ ic50 = 552 nM 55U C19 H23 N5 CN(C)c1ccc....
367 5TT7 ic50 = 13 nM 7KF C19 H24 N6 O Cc1cccc(c1....
368 5CY3 ic50 = 16 nM 55Y C16 H16 N4 O3 S C[C@H]([C@....
369 3TUD ic50 = 2.1 nM FPX C29 H22 F3 N5 O2 Cc1ccc(cc1....
370 4FZ6 ic50 = 127 nM 0VG C22 H22 N6 C[C@H]1CCC....
371 4YJU - 4DO C19 H16 F N7 O2 S CN(c1cccc2....
372 6VOV ic50 = 6.2 nM R6D C23 H25 N9 O c1cc(ccc1N....
373 6HM6 ic50 = 3.16 uM GDK C18 H16 N2 O Cc1ccc(cc1....
374 4XG6 ic50 = 9.7 nM X6G C20 H24 N6 O Cc1cc(cc(c....
375 3VF9 ic50 = 358.2 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
376 3FQH ic50 = 0.57 uM 057 C21 H22 N4 O2 CC(C)(CO)N....
377 3FQS ic50 = 0.041 uM 585 C22 H23 F N6 O5 CC1(C(=O)N....
378 4DFL ic50 = 0.67 uM 0K0 C18 H24 N6 O3 S CS(=O)(=O)....
379 5TIU ic50 = 5 nM 7CU C16 H18 N6 O C[C@@H](CN....
380 1XBC ic50 = 0.012 uM STU C28 H26 N4 O3 C[C@@]12[C....
381 4PUZ ic50 = 7.7 nM CG9 C23 H21 N7 O c1cc(ccc1N....
382 4XG3 ic50 = 17.5 nM X3G C23 H28 F N5 O4 S Cc1cc(cc(c....
383 4XG7 ic50 = 32.6 nM X7G C20 H22 N8 O Cc1c(cn(n1....
384 6HM7 ic50 = 79.4 nM GDH C24 H26 N2 O2 Cc1ccnc(c1....
385 3TUB ic50 = 320 nM FPU C26 H24 N4 O4 COc1cc2c(c....
386 4XG8 ic50 = 1.9 nM X8G C20 H21 Cl N8 O Cc1c(cn(n1....
387 1XBB Ki = 5 uM STI C29 H31 N7 O Cc1ccc(cc1....
388 4F4P ic50 = 0.6 nM 0SB C21 H20 F3 N5 c1cc(cc(c1....
389 4RX7 ic50 = 5 nM 3YV C18 H22 N10 O c1cc(cc(c1....
390 4YJO - 4DF C20 H18 Cl N7 O2 S CCN(c1cccc....
391 4RSS ic50 = 1.7 nM 4MG C23 H27 N7 O Cc1c(n(c2c....
392 5CXH ic50 = 5 nM 55M C20 H21 N3 O4 S C[C@H]([C@....
393 3VF8 ic50 = 150 nM 0JE C17 H21 F N6 O2 CCN(CC)C(=....
394 5C26 ic50 = 0.17 uM 50H C21 H19 N5 O3 COc1ccc(cc....
395 4PX6 ic50 = 4 nM 2X6 C21 H23 N7 O c1cc2cc[nH....
396 4RX9 ic50 = 13 nM 3YT C19 H23 N9 O c1cc(cc(c1....
397 4DFN ic50 = 0.02 uM 0K1 C25 H28 N6 O2 Cn1cc(cn1)....
398 4YJR - 4DJ C22 H22 N8 O Cn1c2ccc(c....
399 4I0S ic50 = 36 nM 1B5 C18 H17 Cl N6 O CC(C)NC(=O....
400 4GK3 - L87 C19 H21 N5 O2 CCCCn1c(cn....
401 3FY2 - LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP n/a n/a
402 4TWO ic50 = 8000 nM 37W C19 H22 N2 O4 S Cc1ccc(cc1....
403 4P4C - 25Q C18 H15 N5 O2 COc1cccc(c....
404 4GK2 - L66 C22 H19 N5 O4 Cc1ccc(cc1....
405 4TWN - B96 C31 H37 N5 O3 Cc1ccc(cc1....
406 2QOQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
407 4GK4 - L90 C20 H21 N7 O2 CCCCn1c(cn....
408 3FXX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
409 2QO7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
410 4P5Q - Q0B C22 H22 Cl N5 O2 CCOCCCNC(=....
411 2QOC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
412 4P5Z Kd = 39.3 nM Q7M C25 H18 F3 N7 O2 c1ccc2c(c1....
413 2QO9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
414 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
415 4XV9 ic50 = 0.19 uM 1OO C21 H11 Cl F5 N3 O3 S c1cc(ccc1C....
416 6P3D ic50 = 14 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
417 6N0Q ic50 = 0.04 uM K7S C23 H18 F3 N3 O2 Cc1ccc(cc1....
418 5ITA - 6DC C19 H19 N5 O3 S CCCS(=O)(=....
419 5JRQ - 6N9 C24 H23 F2 N3 O4 S CCCS(Nc1cc....
420 4XV1 ic50 = 0.0042 uM 904 C24 H22 F2 N6 O3 S CCN(C)S(=O....
421 4EWH Ki = 0.0003 uM T77 C26 H29 N5 O S2 CN(C)CCOc1....
422 3EQP - T95 C33 H38 N6 O4 CCOc1ccccc....
423 1U4D - DBQ C11 H11 N5 O2 c1c[nH]c2c....
424 3EQR Ki = 0.002 uM T74 C29 H38 N8 O Cc1cccc(c1....
425 5ZXB ic50 = 8 nM 9KO C33 H32 F3 N9 O3 Cc1ccc(cc1....
426 1U59 ic50 = 55.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
427 5DA3 ic50 = 80 nM 58V C23 H22 Cl N7 O2 c1cc(c(cc1....
428 6CZ4 ic50 = 0.076 uM FKY C24 H23 F4 N5 O4 Cn1cc(nc1)....
429 6CZ3 ic50 = 0.056 uM FLJ C21 H20 F N7 O2 Cc1cn2c(cn....
430 6DUK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
431 3W32 ic50 = 75 nM W32 C25 H23 Cl F3 N5 O4 S CS(=O)(=O)....
432 5CAU Ki = 1.6 nM 4ZR C21 H25 F4 N7 O2 C[C@H](c1n....
433 5D41 ic50 = 0.024 uM 57N C19 H15 N3 O2 S c1ccc(cc1)....
434 4I22 - IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
435 2ITV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
436 3POZ ic50 = 23 nM 03P C26 H25 Cl F3 N5 O3 CC(C)(CC(=....
437 6LUD - YY3 C28 H33 N7 O2 Cn1cc(c2c1....
438 5HCY Ki = 1.2 nM 60D C26 H30 N8 O4 S CC(C)n1cc(....
439 5CAP Ki = 52 nM 4ZH C19 H26 N6 O3 S Cc1nc2cnc(....
440 6V5N - QP7 C25 H21 F N4 O c1ccc(cc1)....
441 6JRX - 9JO C33 H41 Cl N8 O2 CCC(=O)NC1....
442 3W33 ic50 = 36 nM W19 C25 H22 Cl N5 O3 S c1cc(c2ccs....
443 2ITN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
444 4RJ8 Ki = 17 nM 3QS C22 H28 N6 O COC1CCN(CC....
445 6P8Q - O57 C20 H15 F N2 O c1ccc(cc1)....
446 6LUB ic50 = 0.28 nM EUX C31 H34 F3 N9 O3 S CC(C)n1c2c....
447 5CAS Ki = 1.4 nM 4ZQ C21 H25 F4 N7 O2 C[C@H](c1n....
448 7A2A - 57N C19 H15 N3 O2 S c1ccc(cc1)....
449 5X2F - 7XU C28 H34 N8 CN1CCN(CC1....
450 3VJN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
451 3UG2 Kd = 5.6 nM IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
452 5X2C - 7XR C27 H32 N8 CN1CCN(CC1....
453 6Z4D - 57N C19 H15 N3 O2 S c1ccc(cc1)....
454 5CNN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
455 5CAQ Ki = 2.7 nM 4ZJ C20 H26 F N7 O Cc1nc2cnc(....
456 2RGP ic50 = 0.03 uM HYZ C24 H27 F N8 c1cc(cc(c1....
457 5UGA Ki = 161 nM 8BM C25 H35 N9 O CC(C)n1cnc....
458 5CNO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
459 5C8N Ki = 28 nM 4YX C22 H32 N8 O Cc1nc2cnc(....
460 6Z4B - 9LL C19 H14 F N3 O3 S c1ccc2c(c1....
461 5X2A - 7XO C25 H30 N8 CC(C)n1c2c....
462 6V5P - QP4 C26 H23 F N4 O COCCCc1[nH....
463 1XKK Ki = 3 nM FMM C29 H26 Cl F N4 O4 S CS(=O)(=O)....
464 6VHN - QQJ C25 H24 F N5 O2 S CCC(=O)Nc1....
465 6P1D - NQ1 C20 H15 F N2 O c1ccc(cc1)....
466 3BEL ic50 = 0.014 uM POX C22 H22 F N7 O2 COCCO/N=C/....
467 4OTF ic50 = 0.006 uM 2VL C33 H36 N6 O3 S Cc1c(cccc1....
468 6X3N ic50 = 0.083 nM ULV C26 H22 F3 N7 O3 c1cc(ccc1c....
469 5BQ0 ic50 = 15 nM 4US C25 H23 Cl N4 O2 CN1CCN(CC1....
470 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
471 6NFH - KLM C26 H28 N6 O4 CN(C)C[C@@....
472 6X3O ic50 = 0.21 nM ULY C28 H26 F3 N7 O3 COc1cc(ccc....
473 5JRS ic50 = 4 nM 6MV C30 H23 F N4 O3 CC(C)(c1cc....
474 6E4F ic50 = 0.85 nM HRA C25 H23 Cl N4 O4 c1ccc(cc1)....
475 5FBO ic50 = 0.31 nM 5WH C29 H27 F4 N7 O2 C[C@H]1CC[....
476 5KUP ic50 = 7.2 nM 6XL C28 H26 F N7 O3 CC(C)(C)c1....
477 6S90 ic50 = 13 nM L0Z C36 H38 N6 O2 Cc1c(cccc1....
478 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
479 4NWM ic50 = 0.008 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
480 5P9H - 7G7 C34 H37 F N8 O3 CC(C)(C)c1....
481 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
482 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
483 4ZLY ic50 = 3.5 uM 4RU C9 H8 N4 O c1ccc2c(c1....
484 5U9D ic50 = 0.00055 uM 83P C27 H24 N6 O3 CNC(=O)[C@....
485 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
486 5VGO Ki = 1.28 nM 9B1 C29 H29 N5 O3 S CC1(Cc2c3c....
487 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
488 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
489 5P9G - 7G6 C35 H35 F N6 O3 CN1CCN(CC1....
490 6HRP - GMQ C34 H34 F N7 O5 CC(C)(C)c1....
491 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
492 5VFI Ki = 0.91 nM 9AJ C37 H44 N8 O4 C[C@H]1CN(....
493 6VXQ ic50 = 3700 nM RQS C20 H16 N4 O c1ccc(cc1)....
494 6NZM ic50 = 0.001 uM L9S C29 H33 F N8 O2 c1cc(cc(c1....
495 6NFI - KLP C21 H22 N4 O3 S Cc1cccc(c1....
496 5T18 ic50 = 0.5 nM 73T C32 H30 F2 N4 O4 Cc1c(cccc1....
497 5P9I - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
498 6HRT - GMW C37 H37 F N6 O5 CC(C)(C)c1....
499 4Z3V ic50 = 4 nM 4L6 C17 H14 N6 O Cc1cc2cn[n....
500 6W06 ic50 = 142 nM S5M C24 H24 N4 O CC(C)(C)c1....
501 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
502 5BPY - 4UQ C33 H40 N6 O4 CC(C)(C)c1....
503 6OMU ic50 = 8.9 nM MZJ C25 H27 N5 O2 C=CC(=O)N1....
504 5FBN ic50 = 0.27 nM 5WF C29 H28 F3 N7 O3 CC1(COC1)C....
505 6DI0 - GJG C12 H17 N3 O c1cc(ncc1C....
506 6W07 ic50 = 1 nM S9A C23 H29 N7 O2 Cc1cc(ccc1....
507 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
508 6X3P ic50 = 0.58 nM UM4 C30 H28 F3 N7 O3 c1cc(c(cc1....
509 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
510 4ZLZ ic50 = 100 nM 4RV C15 H13 N5 O Cc1ccncc1c....
511 4Y95 - 746 C34 H37 N5 O4 Cc1c(cccc1....
512 4RX5 ic50 = 3 nM 3YO C27 H24 F N7 O2 S Cc1c(ccc(c....
513 6XE4 ic50 = 2.4 nM V1G C28 H27 F2 N5 O4 CC(C)(C)c1....
514 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
515 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
516 5P9F - 2VL C33 H36 N6 O3 S Cc1c(cccc1....
517 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
518 1OPK - MYR C14 H28 O2 CCCCCCCCCC....
519 5MO4 - NIL C28 H22 F3 N7 O Cc1ccc(cc1....
520 2FO0 - P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
521 3D94 Ki = 157 nM D94 C30 H31 N7 CN1CCN(CC1....
522 2OJ9 ic50 = 0.39 uM BMI C22 H19 N7 O Cc1cc(cc2c....
523 3I81 ic50 = 13 nM EBI C23 H24 F N9 O C[C@]1(CCC....
524 5HZN ic50 = 0.061 uM 66A C27 H29 N5 O c1ccc(cc1)....
525 4D2R ic50 = 3.3 uM DYK C24 H26 N6 O2 CN1CCC(CC1....
526 3O23 ic50 = 0.5 uM MQY C21 H16 F3 N3 O4 S C[C@H]1C(=....
527 3NW6 ic50 = 7 nM LGW C22 H21 F N8 O c1cc2c(nc(....
528 3NW5 ic50 = 8400 nM LGX C22 H21 F N8 O c1cc2c(nc(....
529 2ZM3 Kd = 0.614 uM 575 C21 H20 Br N3 O2 c1cc(ccc1C....
530 1JQH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
531 3NW7 ic50 = 5.3 nM LGV C19 H17 F N8 O c1cc2c(nc(....
532 2C0I - L1G C33 H39 N9 O2 Cn1c2ccccc....
533 3VRZ - VRZ C25 H26 N6 O c1ccc(cc1)....
534 1QCF - PP1 C16 H19 N5 Cc1ccc(cc1....
535 5H0B ic50 = 11 nM OOQ C30 H35 N5 O3 CC(C)C[C@@....
536 5H09 ic50 = 1323 nM OOO C32 H39 N5 O3 CCOC(=O)[C....
537 3VS3 - VSE C29 H34 N6 O CN1CCN(CC1....
538 2C0T - L3G C32 H36 N8 O3 Cn1c2ccccc....
539 3VS1 - VSA C24 H24 N6 O c1ccc(cc1)....
540 3VS6 - VSH C20 H26 N6 O3 CC(C)n1c2c....
541 5H0H ic50 = 686 nM OOV C32 H40 N6 O2 CC(C)C[C@@....
542 3VRY ic50 = 7.7 nM B43 C23 H22 N4 O c1ccc(cc1)....
543 5H0G ic50 = 111 nM OOU C31 H38 N6 O2 CC(C)C[C@@....
544 5H0E ic50 = 210 nM OOS C30 H36 N6 O2 CC(C)C[C@@....
545 2SRC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
546 1Y57 ic50 = 1633 nM MPZ C28 H29 N7 O CN1CCN(CC1....
547 6F3F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
548 3BRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
549 5U6C Ki < 0.05 nM 7YS C21 H22 Cl F N6 O3 Cc1c-2c(n(....
550 7AB2 - R6N C28 H40 N6 O CCCCNc1ncc....
551 7AAZ - R6K C34 H41 N7 O2 Cn1cc(cn1)....
552 7AAY - L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
553 5TC0 ic50 = 25 nM 79Y C18 H19 N5 O4 S2 CS(=O)(=O)....
554 5K0X ic50 = 4.4 nM K0X C24 H34 F N7 O2 c1cc(ccc1C....
555 7AAX - R6H C30 H26 F2 N4 O5 CCOc1cn(nc....
556 7AB1 - C6F C29 H44 N8 O3 CCc1c(nc(c....
557 2P0C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
558 5AAA Ki = 0.38 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
559 4CLJ Ki = 0.7 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
560 4CMO Ki = 0.85 nM YPW C20 H20 F N5 O3 C[C@H](c1c....
561 5AA8 Ki = 8.6 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
562 3LCS - STU C28 H26 N4 O3 C[C@@]12[C....
563 4CCU - AWF C22 H23 F N6 O2 S Cc1c(sc(n1....
564 5IUH ic50 = 402 nM 34Y C30 H36 N8 O3 Cc1cc(ccc1....
565 2XB7 Ki = 0.65 nM GUI C30 H40 Cl N7 O3 S CC(C)S(=O)....
566 4CCB - OFG C19 H18 F N7 O Cc1c(c[nH]....
567 4CTC - J99 C23 H24 F N5 O2 C[C@@H]1c2....
568 4FOD ic50 = 0.0012 uM 0UV C33 H44 F N5 O3 CC(C)NC(=O....
569 4DCE ic50 = 0.174 uM 0JF C27 H33 N5 O4 Cc1ccc(cc1....
570 6E0R ic50 = 20 nM HKJ C21 H21 F N6 O3 S Cc1cc(n[nH....
571 5AAC Ki = 1.3 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
572 5IUI - 45Q C23 H28 N6 O Cc1cc(ccc1....
573 5IMX - CZ4 C27 H38 Cl N7 O3 S Cc1cc(c(cc....
574 4ANQ ic50 = 605 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
575 4Z55 ic50 = 13 nM 4LO C30 H39 N7 O3 S Cc1cc(c(cc....
576 5A9U Ki = 0.08 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
577 4FOB ic50 = 0.005 uM 0US C30 H39 N5 O4 S C=CCNS(=O)....
578 5FTQ ic50 = 0.01 uM U4W C32 H36 F2 N6 O2 CN1CCN(CC1....
579 3AOX Kd = 2.4 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
580 4CD0 Ki = 0.2 nM AWJ C22 H25 F N6 O3 S Cc1c(sc(n1....
581 5AA9 Ki = 6.4 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
582 3LCT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
583 2XBA Ki = 23.68 nM 571 C25 H27 N6 O3 CN1CCN(CC1....
584 5IUG ic50 = 177 nM 729 C31 H38 N8 O3 Cc1cc(ccc1....
585 4MKC - 4MK C28 H36 Cl N5 O3 S Cc1cc(c(cc....
586 4CTB - KVC C23 H18 F N7 O2 C[C@@H]1c2....
587 5AAB Ki = 0.88 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
588 2XP2 - VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
589 6EBW ic50 = 2.5 nM J3Y C23 H24 F N7 O2 Cc1cc(n[nH....
590 4CLI Ki < 0.07 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
591 4CMT Ki < 0.2 nM GWH C22 H22 F N5 O3 S C[C@H](c1c....
592 4FOC ic50 = 0.003 uM 0UU C28 H34 N4 O3 COC(=O)C1C....
593 4CNH Ki = 4 nM 3U9 C17 H18 F N5 O2 C[C@H](c1c....
594 4FNY ic50 = 0.016 uM I3K C24 H18 Cl N3 O4 COc1cc2c(c....
595 5KZ0 Ki = 22 nM 6YL C21 H24 F N5 O2 Cc1c(cn(n1....
596 6MX8 ic50 = 0.37 nM 6GY C29 H39 Cl N7 O2 P CN1CCN(CC1....
597 4CMU Ki < 0.2 nM IV7 C21 H22 F N5 O2 Cc1c-2c(n(....
598 5FTO Ki = 6.2 nM YMX C31 H34 F2 N6 O2 CN1CCN(CC1....
599 1MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
600 6GCW ic50 = 4.7 nM EUQ C27 H31 Cl N10 O2 CCC(=O)NCC....
601 2JKK ic50 = 6.24 nM BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
602 6GCX ic50 = 0.6 nM EUW C28 H29 Cl N8 O4 CCC(=O)NCC....
603 4K9Y Kd = 0.111 uM K9Y C26 H27 N9 O Cc1ccc(cc1....
604 4Q9S ic50 = 156 uM 30G C10 H9 N3 O2 c1ccc2c(c1....
605 4D5H - 9RM C11 H9 F3 N4 O CC1=C(NC(=....
606 4D4V - KB8 C15 H16 F3 N3 Cc1ccc2c(c....
607 6I8Z ic50 = 17 nM H82 C28 H29 F3 N5 O4 C[NH+]1CCC....
608 4GU6 Kd = 44 nM 10N C22 H20 N6 O2 S CN(c1c(ccc....
609 4KAO Kd = 0.77 uM KAO C26 H27 N5 O Cc1ccc(cc1....
610 2JKM ic50 = 17.76 nM BII C25 H32 Cl N7 O3 S CC(C)NS(=O....
611 3BZ3 ic50 = 1.5 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
612 4GU9 Kd = 43 uM 4GU C11 H8 F N5 c1ccc(c(c1....
613 4EBV ic50 = 0.99 uM 0O7 C18 H17 N3 O2 S CCc1ccc(cc....
614 2JKO ic50 = 7.7 nM BIJ C25 H28 Cl N7 O2 CN1CCN(CC1....
615 4I4E ic50 = 0.5 uM 1BQ C24 H26 N4 O4 S CN1c2ccc(c....
616 2J0L - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
617 4I4F ic50 = 0.64 uM 1BR C22 H26 N4 O2 S CC(C)(C)c1....
618 4BRX ic50 = 0.32 uM KGW C22 H25 N7 O3 CNC(=O)c1c....
619 4D4S - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
620 4D58 - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
621 4C7T ic50 = 0.4 uM 5RI C20 H22 N6 O4 CNC(=O)c1c....
622 4E1Z - 0MX C24 H17 Cl N4 O4 S c1cc(cc(c1....
623 4GFO Ki = 0.24 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
624 4GJ3 Ki = 1.4 nM 0XP C17 H11 Cl2 F N4 O2 c1cnc(cc1N....
625 4GII Ki = 1.8 nM 0X6 C17 H12 Cl2 N4 O2 c1cnc(cc1N....
626 6AAM - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
627 6OVA ic50 = 1.1 nM N9G C21 H22 N6 O2 CN(C)C(=O)....
628 3NYX Ki = 32 nM TZ1 C16 H9 Cl N4 O S3 c1cc(sc1)C....
629 6VNY ic50 = 139 nM R4S C18 H22 F N7 O2 c1c(cn(n1)....
630 6VNS ic50 = 29 nM R5D C19 H21 F N8 O2 c1c(cn(n1)....
631 4GVJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
632 6DBM ic50 = 23 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
633 6VNX ic50 = 29 nM R4V C18 H20 F3 N7 O C[C@@H]1[C....
634 3NZ0 - IZA C18 H16 F N3 O CC(C)(C)c1....
635 4GJ2 Ki = 2.5 nM 0XH C16 H12 Cl2 F N3 O2 c1cc(c(c(c....
636 6VNV ic50 = 67 nM R4Y C19 H21 F N8 O2 c1c(cn(n1)....
637 6DBK ic50 = 23 nM G5D C21 H23 N7 O2 CCNC(=O)c1....
638 6X8F ic50 = 10 nM UWP C20 H18 F3 N9 Cn1cc(cn1)....
639 3LXP - IZA C18 H16 F N3 O CC(C)(C)c1....
640 5WAL Ki = 0.0017 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
641 4GIH Ki = 0.0048 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
642 3C1X ic50 = 0.045 uM CKK C27 H27 F2 N7 O3 c1cc(ccc1C....
643 3LXN Ki = 4.4 nM MI1 C16 H20 N6 O C[C@@H]1CC....
644 6X8G ic50 = 15 nM UWM C20 H17 N9 Cn1cc(cn1)....
645 4PY1 - 2YK C17 H16 N6 O2 S Cn1cc(cn1)....
646 4H1J ic50 = 1200 nM 0YH C26 H30 N6 O2 Cc1ccc(cc1....
647 3FZT ic50 = 637 nM 4JZ C24 H27 N7 O2 Cc1ccc(cc1....
648 3H3C ic50 = 140 nM P1E C19 H25 F3 N6 O2 S CNS(=O)(=O....
649 4H1M ic50 = 78 nM 0YJ C27 H32 N6 O2 Cc1ccc(cc1....
650 5TOB ic50 = 13 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
651 5TO8 ic50 = 3.1 nM 7FM C25 H26 F3 N7 O3 S CS(=O)(=O)....
652 3FZP - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
653 3FZS ic50 = 1.5 uM B96 C31 H37 N5 O3 Cc1ccc(cc1....
654 5FDP ic50 = 309 nM 5WR C28 H31 F3 N6 O C[C@@H]1CN....
655 6FIO ic50 = 0.03 uM DJH C25 H24 F3 N5 O3 Cc1cccc2c1....
656 6HP9 ic50 = 5.6 nM GKB C25 H21 F3 N6 O Cc1cn(cn1)....
657 6FIN - DJQ C27 H27 N7 O3 c1ccc(cc1)....
658 6FEW ic50 = 1.41 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
659 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
660 4BKJ Kd = 1.9 nM STI C29 H31 N7 O Cc1ccc(cc1....
661 6FEX ic50 = 0.029 uM D6Z C23 H20 Br F3 N6 O3 c1cc2c(c(c....
662 5BVN - 4VD C23 H20 F N5 O2 Cc1ccc(cc1....
663 6GWR Kd = 7.9 nM FEW C31 H31 F3 N6 O CC(C)c1ccc....
664 6FIL ic50 = 1.41 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
665 5BVK - 4VC C13 H12 Cl N3 O c1ccc(c(c1....
666 5BVO - 4VE C24 H20 F N5 O2 Cc1ccc(cc1....
667 6FIQ - DJW C27 H27 F3 N6 O4 COc1ccc2c(....
668 5BVW - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
669 3ZOS - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
670 3KRL ic50 = 0.8 nM KRL C22 H27 N5 O2 CN1CCN(CC1....
671 3DPK ic50 = 4.1 nM 8C5 C27 H34 N6 O3 CONC(=O)C1....
672 2I0Y - 5CN C19 H21 N3 O3 CC1CCN(CC1....
673 3BEA ic50 = 0.007 uM IXH C29 H31 N7 O2 C[C@H]1CN(....
674 6T2W ic50 = 0.00000001 M M9T C20 H25 N5 O3 Cc1cc(ccc1....
675 2I1M - 5CN C19 H21 N3 O3 CC1CCN(CC1....
676 3KRJ ic50 = 1.1 nM KRJ C22 H25 N5 O c1cc(c(cc1....
677 3LCD ic50 = 40 nM BDY C27 H30 Cl2 N6 O c1cc(c(c(c....
678 6IG8 - A7O C30 H34 N2 O6 COc1cc(ccc....
679 6NE7 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
680 2IVS - ACK C10 H12 N5 O6 P c1nc(c2c(n....
681 2X2L ic50 = 5.3 uM X2L C16 H14 N2 O2 COc1ccc(cc....
682 6NJA - ADE C5 H5 N5 c1[nH]c2c(....
683 6I83 ic50 = 0.025 uM H72 C19 H16 N6 O c1cc(cnc1)....
684 6FEK - ADN C10 H13 N5 O4 c1nc(c2c(n....
685 2IVU Ki = 375 nM ZD6 C22 H24 Br F N4 O2 CN1CCC(CC1....
686 4CKJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
687 7JU5 - Q4J C27 H32 F N9 O2 Cc1cc(n[nH....
688 6VHG ic50 = 5.5 uM QX1 C26 H30 N6 O2 CN1CCC(CC1....
689 2X2M ic50 = 0.17 uM X2M C15 H14 N2 O Cc1cc([nH]....
690 6NEC - XIN C31 H33 N5 O4 CN1CCN(CC1....
691 7JU6 - Q6G C29 H31 N7 O3 CC(C)(COc1....
692 6I82 ic50 = 0.019 uM H6W C18 H21 N5 O2 CN(C)CCCNc....
693 2IVV - PP1 C16 H19 N5 Cc1ccc(cc1....
694 4CKI - ADN C10 H13 N5 O4 c1nc(c2c(n....
695 5HID - B1E C27 H25 N5 O2 Cc1ccc(cc1....
696 6N0P Kd = 1.3 nM K81 C25 H25 F3 N4 O4 Cc1ccc(cc1....
697 2H8H ic50 = 2.7 nM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
698 4Y93 - 746 C34 H37 N5 O4 Cc1c(cccc1....
699 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
700 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 C[C@H](C(C....
701 5LWM Kd = 0.00134 uM 79T C24 H24 N6 O2 CN(C)C(=O)....
702 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 C[C@@H](C1....
703 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O C[C@@H]1CC....
704 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 C[C@H](C(=....
705 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O C[C@@H](C(....
706 6GLB ic50 = 129 nM F48 C21 H21 N5 O c1cc(oc1CC....
707 6HZV ic50 = 59 nM GYW C20 H19 N7 O3 c1cc2ncc(n....
708 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 C[C@H](C(=....
709 6DB3 ic50 = 56 nM G54 C17 H15 N5 C[C@@]1(CC....
710 7C3N ic50 = 0.013 uM FHX C16 H18 N6 O C[C@H]1CN(....
711 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 C[C@@H](C1....
712 4QT1 ic50 = 7 nM 3C9 C16 H24 N6 O3 S CC(C)CS(=O....
713 5LWN ic50 = 17 nM 79R C25 H26 N6 O2 C[C@@H]1CC....
714 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
715 6GL9 ic50 = 135 nM F3W C23 H21 N5 c1cc(cc(c1....
716 6NY4 ic50 ~ 3 nM Z3A C18 H20 N4 O3 C[C@H]([C@....
717 6GLA ic50 = 27 nM F4B C21 H19 N5 O c1cc(oc1/C....
718 4CSV Ki = 910 nM STI C29 H31 N7 O Cc1ccc(cc1....
719 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
720 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
721 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
722 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
723 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
724 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
725 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
726 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
727 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
728 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
729 3MJ1 Kd = 15 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
730 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
731 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
732 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
733 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
734 4RFM Ki = 0.00009 uM 3P6 C25 H27 F2 N5 O3 S C[C@@]12Cc....
735 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
736 4QD6 Ki = 2.3 nM 30T C26 H27 N5 O3 S c1ccc(cc1)....
737 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
738 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
739 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
740 4MF1 Ki = 0.7 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
741 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
742 3MJ2 ic50 = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
743 4M0Y Kd = 0.35 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
744 1BYG - STU C28 H26 N4 O3 C[C@@]12[C....
745 4U0I ic50 < 11 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
746 1T46 - STI C29 H31 N7 O Cc1ccc(cc1....
747 6KLA - DJX C19 H23 N7 S CCN1CCN(CC....
748 3G0E Kd = 20 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
749 4HVS ic50 = 0.016 uM 647 C21 H17 F3 N4 c1cc2c(c[n....
750 6MOB - JWY C24 H21 Cl F N5 O2 CCN1c2cc(n....
751 1JPA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
752 6KZD ic50 = 2.95 nM DZ6 C36 H37 N7 O Cc1c(cccc1....
753 4YMJ ic50 = 0.1 uM 4EJ C20 H15 N5 c1ccc(cc1)....
754 6KZC ic50 = 11.46 nM DZC C28 H25 F3 N6 O Cc1c(cccc1....
755 3PLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
756 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
757 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
758 6GQJ - F82 C25 H27 N5 O5 CC(C)n1cc(....
759 6XVA ic50 = 0.24 uM O2K C29 H30 N4 O5 CCC(=O)NCc....
760 6GQM - F8H C24 H26 F N7 O3 CC(C)c1cn(....
761 6GQL - F8B C23 H24 N6 O4 CC(C)c1cn(....
762 6GQK - F88 C23 H23 N5 O4 CCn1cc(cn1....
763