Receptor
PDB id Resolution Class Description Source Keywords
1iep 2.1 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. MUS MUSCULUS KINASE KINASE INHIBITOR STI-571 ACTIVATION LOOP TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF C-ABL IN COMPLEX WITH THE SMALL MOLECULE INHIBITORS PD173955 AND IMATINIB (STI-571) CANCER RES. V. 62 4236 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1;
A:2;
A:4;
A:5;
B:3;
B:6;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
STI A:201;
B:202;
Valid;
Valid;
none;
none;
ic50 = 100 nM
493.603 C29 H31 N7 O Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KF4 1.9 Å EC: 2.7.10.2 STRUCTURAL ANALYSIS OF DFG-IN AND DFG-OUT DUAL SRC-ABL INHIB SHARING A COMMON VINYL PURINE TEMPLATE MUS MUSCULUS ABL CML DRUG RESISTANCE INHIBITOR ATP-BINDING KINASE NUCLEOTIDE-BINDING ONCOGENE TYROSINE-PROTEIN KINASE TRAN
Ref.: STRUCTURAL ANALYSIS OF DFG-IN AND DFG-OUT DUAL SRC-INHIBITORS SHARING A COMMON VINYL PURINE TEMPLATE. CHEM.BIOL.DRUG DES. V. 75 18 2010
Members (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
2 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
3 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
4 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
5 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
6 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
7 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
8 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
9 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
10 3PYY - 3YY C18 H13 F N4 O2 c1ccc(cc1)....
11 1OPJ - MYR C14 H28 O2 CCCCCCCCCC....
12 3CS9 ic50 < 33 uM NIL C28 H22 F3 N7 O Cc1ccc(cc1....
13 3MSS - STI C29 H31 N7 O Cc1ccc(cc1....
14 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
15 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
16 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
17 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
18 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
19 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
20 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
21 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
22 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
23 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
24 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
25 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
26 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
27 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
28 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
2 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
3 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
4 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
5 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
6 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
7 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
8 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
9 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
10 3PYY - 3YY C18 H13 F N4 O2 c1ccc(cc1)....
11 1OPJ - MYR C14 H28 O2 CCCCCCCCCC....
12 3CS9 ic50 < 33 uM NIL C28 H22 F3 N7 O Cc1ccc(cc1....
13 3MSS - STI C29 H31 N7 O Cc1ccc(cc1....
14 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
15 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
16 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
17 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
18 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
19 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
20 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
21 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
22 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
23 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
24 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
25 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
26 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
27 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
28 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
50% Homology Family (417)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1YWN ic50 ~ 0.003 uM LIF C27 H19 F4 N5 O3 COc1ccc(cc....
2 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
3 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
4 3CJF ic50 = 6.3 nM SAV C21 H22 N6 O3 Cc1c2ccc(c....
5 3U6J - 03X C29 H25 F N4 O5 CC1=C(C(=O....
6 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
7 3EWH ic50 = 69 nM K11 C28 H20 F3 N7 O CNc1nccc(n....
8 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
9 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
10 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
11 3C7Q ic50 = 21 nM XIN C31 H33 N5 O4 CN1CCN(CC1....
12 1Y6B ic50 = 38 nM AAX C25 H24 N4 O4 S COc1ccc(cc....
13 3VHE ic50 = 6.2 nM 42Q C21 H15 F4 N5 O2 Cn1ccc2c1c....
14 1Y6A ic50 = 0.022 uM AAZ C23 H21 N3 O4 S CCS(=O)(=O....
15 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
16 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
17 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
18 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
19 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
20 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
21 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
22 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
23 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
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 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(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 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
32 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
33 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
34 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
35 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
36 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
37 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
38 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
39 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
40 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
41 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
42 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
43 3BZ3 ic50 = 1.5 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
44 4GU9 Kd = 43 uM 4GU C11 H8 F N5 c1ccc(c(c1....
45 1MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 4EBV ic50 = 0.99 uM 0O7 C18 H17 N3 O2 S CCc1ccc(cc....
47 2JKO ic50 = 7.7 nM BIJ C25 H28 Cl N7 O2 CN1CCN(CC1....
48 4I4E ic50 = 0.5 uM 1BQ C24 H26 N4 O4 S CN1c2ccc(c....
49 2JKK ic50 = 6.24 nM BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
50 2J0L - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
51 4I4F ic50 = 0.64 uM 1BR C22 H26 N4 O2 S CC(C)(C)c1....
52 4K9Y Kd = 0.111 uM K9Y C26 H27 N9 O Cc1ccc(cc1....
53 4Q9S ic50 = 156 uM 30G C10 H9 N3 O2 c1ccc2c(c1....
54 4BRX ic50 = 0.32 uM KGW C22 H25 N7 O3 CNC(=O)c1c....
55 4GU6 Kd = 44 nM 10N C22 H20 N6 O2 S CN(c1c(ccc....
56 4KAO Kd = 0.77 uM KAO C26 H27 N5 O Cc1ccc(cc1....
57 2JKM ic50 = 17.76 nM BII C25 H32 Cl N7 O3 S CC(C)NS(=O....
58 4C7T ic50 = 0.14 uM 5RI C20 H22 N6 O4 CNC(=O)c1c....
59 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
60 3FQH ic50 = 0.57 uM 057 C21 H22 N4 O2 CC(C)(CO)N....
61 3FQS ic50 = 0.041 uM 585 C22 H23 F N6 O5 CC1(C(=O)N....
62 3TUC ic50 = 100 nM FPW C29 H24 N4 O5 COc1cc2c(c....
63 4DFL ic50 = 2.4 uM 0K0 C18 H24 N6 O3 S CS(=O)(=O)....
64 1XBC ic50 = 0.012 uM STU C28 H26 N4 O3 C[C@@]12[C....
65 4PUZ ic50 = 7.7 nM CG9 C23 H21 N7 O c1cc(ccc1N....
66 4I0R ic50 = 14 nM 1B4 C19 H22 N4 O4 CC(C)NC(=O....
67 3TUB ic50 = 320 nM FPU C26 H24 N4 O4 COc1cc2c(c....
68 1XBB Ki = 5 uM STI C29 H31 N7 O Cc1ccc(cc1....
69 4F4P ic50 = 0.6 nM 0SB C21 H20 F3 N5 c1cc(cc(c1....
70 4PV0 Kd = 4 nM CG4 C28 H23 N5 O5 COc1ccc(cc....
71 4FYO ic50 = 47 nM 0VF C25 H24 N6 O5 S COc1ccc(cc....
72 3FQE Ki = 0.02 uM P5C C18 H24 N6 O Cc1cccc(c1....
73 4FYN - 0VE C22 H23 N5 O2 CCN(CCO)c1....
74 4I0T ic50 = 26 nM 1B6 C18 H22 N6 O CC(C)(C)NC....
75 3VF8 ic50 = 150 nM 0JE C17 H21 F N6 O2 CCN(CC)C(=....
76 4FL1 Kd = 520 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
77 4PX6 ic50 = 4 nM 2X6 C21 H23 N7 O c1cc2cc[nH....
78 3TUD ic50 = 2.1 nM FPX C29 H22 F3 N5 O2 Cc1ccc(cc1....
79 4FZ6 ic50 = 127 nM 0VG C22 H22 N6 C[C@H]1CCC....
80 4DFN ic50 = 0.04 uM 0K1 C25 H28 N6 O2 Cn1cc(cn1)....
81 4I0S ic50 = 36 nM 1B5 C18 H17 Cl N6 O CC(C)NC(=O....
82 3VF9 ic50 = 358.2 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
83 2C0I - L1G C33 H39 N9 O2 Cn1c2ccccc....
84 3VRZ - VRZ C25 H26 N6 O c1ccc(cc1)....
85 3VS1 - VSA C24 H24 N6 O c1ccc(cc1)....
86 3VS6 - VSH C20 H26 N6 O3 CC(C)n1c2c....
87 1QCF - PP1 C16 H19 N5 Cc1ccc(cc1....
88 3VRY ic50 = 7.7 nM B43 C23 H22 N4 O c1ccc(cc1)....
89 3VS3 - VSE C29 H34 N6 O CN1CCN(CC1....
90 3B2T - M33 C11 H17 N5 O9 P2 C[P@](=O)(....
91 1OEC - AA2 C25 H30 Cl N5 O CC(C)(c1cc....
92 4J96 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
93 2PWL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
94 2PZP - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
95 4J98 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
96 2PVY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
97 3CLY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
98 3RI1 ic50 = 1.23 uM 3RH C18 H15 N3 c1ccc(cc1)....
99 2PY3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
100 2PZ5 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
101 4FOC ic50 = 0.003 uM 0UU C28 H34 N4 O3 COC(=O)C1C....
102 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O C[C@@H]1CC....
103 4ANQ ic50 = 605 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
104 4BB4 - 32W C23 H21 N5 O2 COCCNC(=O)....
105 2VWW ic50 = 0.24 uM 7X2 C20 H19 Cl N4 O5 COc1cc(cc(....
106 2XVD ic50 = 0.002 uM AS6 C26 H33 N5 O4 S Cc1ccc(cc1....
107 2VX1 ic50 = 0.22 uM 7X8 C18 H14 Cl N5 O3 c1cc(cc(c1....
108 2VWZ ic50 = 0.794 uM 7X6 C18 H16 Cl N5 O4 S CS(=O)(=O)....
109 2YN8 - STU C28 H26 N4 O3 C[C@@]12[C....
110 2VWV ic50 = 16 uM 7X3 C19 H20 Cl N5 O4 COc1ccc(cc....
111 2VX0 ic50 = 0.58 uM 7X7 C21 H20 Cl N5 O3 c1cc(cc(c1....
112 2VWY ic50 = 0.09 uM 7X5 C18 H15 Cl N4 O4 S CS(=O)(=O)....
113 4AW5 ic50 = 765 nM 30K C30 H31 N5 O2 CCN1CCC(CC....
114 2X9F ic50 = 0.061 uM X9F C18 H16 N6 O2 S CS(=O)(=O)....
115 2VWU ic50 = 0.35 uM 7X1 C24 H27 Cl N4 O4 COc1cc2c(c....
116 2VWX ic50 = 0.04 uM 7X4 C17 H14 Cl N5 O4 S c1cc(cc(c1....
117 3ZEW - STU C28 H26 N4 O3 C[C@@]12[C....
118 4F1T - H52 C16 H21 N3 O2 S Cc1cncc2c1....
119 1QPC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
120 2OFV ic50 = 0.2 nM 242 C23 H17 F3 N4 O Cc1ccc(cc1....
121 2OFU ic50 ~ 3 uM 1N9 C37 H46 N6 O7 Cc1cccc(c1....
122 2OF2 ic50 = 0.081 uM 547 C25 H26 N4 O c1ccc(cc1)....
123 3KXZ ic50 = 0.035 uM 925 C28 H32 N6 O3 CC1(CC(CC(....
124 3BYS ic50 = 0.5 nM AM5 C31 H30 F3 N7 O2 Cc1ccc(cc1....
125 3MPM ic50 = 30 nM 5LK C23 H26 N6 O CN1CCN(CC1....
126 3B2W ic50 = 0.6 nM 9NH C31 H29 F4 N7 O3 Cc1ccc(cc1....
127 1QPJ - STU C28 H26 N4 O3 C[C@@]12[C....
128 3BYO ic50 = 7 nM AM9 C31 H30 N8 O Cc1cccc(c1....
129 2OG8 ic50 = 0.5 nM 1N8 C30 H31 F3 N6 O2 CCN(CC)CC(....
130 1QPE ic50 = 20 nM PP2 C15 H17 Cl N5 CC(C)(C)n1....
131 3BYU ic50 = 0.8 nM AM6 C32 H32 F3 N7 O2 Cc1ccc(cc1....
132 1QPD - STU C28 H26 N4 O3 C[C@@]12[C....
133 4C3F - 7KW C19 H15 N5 c1ccc(cc1)....
134 3BYM ic50 = 0.006 uM AM0 C25 H23 N7 O3 COc1cc(cc(....
135 2ZM1 ic50 = 220 nM KSF C18 H13 Cl N4 c1ccc(cc1)....
136 3DKC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 4DEG ic50 = 6 nM 0JJ C19 H16 N8 O S Cc1cc(sn1)....
138 4GG5 ic50 = 0.93 nM 0J3 C22 H22 F3 N5 O2 CN1CCN(CC1....
139 3R7O - M61 C28 H32 N6 O5 S CN(C[C@@H]....
140 4AP7 Ki = 0.011 uM F47 C17 H12 F N5 O c1cc(ccc1C....
141 3DKG - SX8 C18 H13 N7 S Cn1cc(cn1)....
142 3Q6W Kd = 27 nM Q6W C31 H30 N6 O2 c1ccnc(c1)....
143 3CD8 ic50 = 9 nM L5G C22 H17 N5 O2 COc1ccc2c(....
144 3ZXZ Ki = 0.005 uM KRW C19 H16 N8 O c1cc2cc(cc....
145 4EEV ic50 = 42 nM L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
146 3RHK ic50 = 520 nM M97 C23 H16 N3 O2 c1ccc2c(c1....
147 4GG7 ic50 = 6.5 nM 0J8 C23 H21 F3 N8 O2 c1cc(cc(c1....
148 3ZZE Ki = 0.0013 uM 6XP C18 H18 Cl N3 O3 Cc1ccc(c2c....
149 3DKF ic50 = 4 nM SX8 C18 H13 N7 S Cn1cc(cn1)....
150 3U6I - 044 C30 H27 F N4 O5 CC1=C(C(=O....
151 4DEI ic50 = 1 nM 0JL C23 H22 N6 O3 S Cc1cc(sn1)....
152 3CTJ ic50 = 0.11 uM 320 C22 H16 F2 N4 O3 c1cc(ccc1C....
153 3QTI ic50 = 14 nM 3QT C20 H16 N6 Cn1cc(cn1)....
154 3CCN ic50 = 120 nM LKG C18 H14 N4 O c1ccc(cc1)....
155 3F66 ic50 = 0.9 uM IHX C20 H19 F3 N4 O CN1CCN(CC1....
156 2WD1 ic50 = 82 nM ZZY C14 H10 N4 O5 S c1ccc(c(c1....
157 3CE3 ic50 = 1.8 nM 1FN C25 H16 F2 N4 O3 c1cc(ccc1N....
158 2WKM ic50 = 9 nM PFY C32 H34 Cl2 N4 O4 S Cc1c([nH]c....
159 3I5N ic50 = 17 nM B2D C21 H17 N7 O COc1cc2c(c....
160 3LQ8 ic50 = 0.4 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
161 3ZCL Ki = 0.0101 uM 5TF C17 H19 N7 C[C@@H](c1....
162 4FOB ic50 = 0.005 uM 0US C30 H39 N5 O4 S C=CCNS(=O)....
163 4CQE Kd < 3 nM CQE C30 H28 F3 N5 O3 S2 CC(=O)Nc1c....
164 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
165 4GK3 - L87 C19 H21 N5 O2 CCCCn1c(cn....
166 4GK4 - L90 C20 H21 N7 O2 CCCCn1c(cn....
167 3FY2 - LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP n/a n/a
168 3FXX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
169 2QO7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
170 4P5Q - Q0B C22 H22 Cl N5 O2 CCOCCCNC(=....
171 4P4C - 25Q C18 H15 N5 O2 COc1cccc(c....
172 2QOC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
173 4P5Z Kd = 39.3 nM Q7M C25 H18 F3 N7 O2 c1ccc2c(c1....
174 4GK2 - L66 C22 H19 N5 O4 Cc1ccc(cc1....
175 2QO9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
176 2QOQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
177 2XBA Ki = 23.68 nM 571 C25 H27 N6 O3 CN1CCN(CC1....
178 3LCS - STU C28 H26 N4 O3 C[C@@]12[C....
179 2XB7 Ki = 0.65 nM GUI C30 H40 Cl N7 O3 S CC(C)S(=O)....
180 2XP2 - VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
181 4FOD ic50 = 0.0012 uM 0UV C33 H44 F N5 O3 CC(C)NC(=O....
182 4FNY ic50 = 0.256 uM I3K C24 H18 Cl N3 O4 COc1cc2c(c....
183 3AOX Kd = 2.4 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
184 1U59 ic50 = 55.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
185 3U6H Ki = 1 nM 03X C29 H25 F N4 O5 CC1=C(C(=O....
186 1R0P Kd = 10 nM KSA C27 H21 N3 O5 C[C@@]12[C....
187 2RFS - AM8 C23 H22 Cl N3 O3 S Cc1c(c([nH....
188 3CTH ic50 = 0.035 uM 319 C20 H16 F2 N4 O3 c1cc(ccc1C....
189 3VW8 - DF6 C26 H23 N3 O4 S COc1cc2c(c....
190 3L8V ic50 = 0.008 uM L8V C23 H16 F3 N5 O2 c1cc(c(nc1....
191 4PMM ic50 = 662 nM 31V C27 H26 N8 O2 Cc1cn(cn1)....
192 1OPK - MYR C14 H28 O2 CCCCCCCCCC....
193 2FO0 - P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
194 4CCU - AWF C22 H23 F N6 O2 S Cc1c(sc(n1....
195 3D94 ic50 = 118 nM D94 C30 H31 N7 CN1CCN(CC1....
196 3O23 ic50 = 0.5 uM MQY C21 H16 F3 N3 O4 S C[C@H]1C(=....
197 3NW6 ic50 = 7 nM LGW C22 H21 F N8 O c1cc2c(nc(....
198 2OJ9 ic50 = 0.39 uM BMI C22 H19 N7 O Cc1cc(cc2c....
199 3I81 ic50 = 13 nM EBI C23 H24 F N9 O C[C@]1(CCC....
200 3NW5 ic50 = 8400 nM LGX C22 H21 F N8 O c1cc2c(nc(....
201 1JQH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
202 3NW7 ic50 = 5.3 nM LGV C19 H17 F N8 O c1cc2c(nc(....
203 4F1O - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
204 4AT3 ic50 = 0.004 uM LTI C16 H18 N4 O2 S2 c1ccc2c(c1....
205 2SRC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
206 1Y57 ic50 = 1633 nM MPZ C28 H29 N7 O CN1CCN(CC1....
207 3BRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
208 2P0C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
209 3W32 ic50 = 75 nM W32 C25 H23 Cl F3 N5 O4 S CS(=O)(=O)....
210 4I22 - IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
211 2ITV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 3VJN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
213 3UG2 Kd = 5.6 nM IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
214 3POZ ic50 = 23 nM 03P C26 H25 Cl F3 N5 O3 CC(C)(CC(=....
215 2RGP ic50 = 0.3 uM HYZ C24 H27 F N8 c1cc(cc(c1....
216 3W33 ic50 = 36 nM W19 C25 H22 Cl N5 O3 S c1cc(c2ccs....
217 2ITN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
218 4RJ8 Ki = 17 nM 3QS C22 H28 N6 O COC1CCN(CC....
219 1XKK Ki = 3 nM FMM C29 H26 Cl F N4 O4 S CS(=O)(=O)....
220 3BEL ic50 = 0.014 uM POX C22 H22 F N7 O2 COCCO/N=C/....
221 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
222 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
223 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
224 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
225 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
226 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
227 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
228 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
229 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O C[C@@H]1CC....
230 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
231 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
232 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
233 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
234 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
235 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
236 4IVA - 1J5 C17 H19 N5 O C[C@H](c1n....
237 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
238 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
239 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 C[C@@H](c1....
240 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
241 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
242 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
243 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
244 4F09 Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
245 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
246 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
247 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
248 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
249 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
250 4AOI Ki = 0.004 uM 4K0 C19 H12 N8 c1cc2c(c[n....
251 4E1Z - 0MX C24 H17 Cl N4 O4 S c1cc(cc(c1....
252 4X3J - 3WR C21 H14 F4 N6 O2 c1cc(ccc1N....
253 2P4I ic50 = 317 nM MR9 C29 H27 F3 N6 O3 Cc1ccc(cc1....
254 2OO8 ic50 = 1 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
255 4GFO Ki = 0.24 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
256 4GJ3 Ki = 1.4 nM 0XP C17 H11 Cl2 F N4 O2 c1cnc(cc1N....
257 4GII Ki = 1.8 nM 0X6 C17 H12 Cl2 N4 O2 c1cnc(cc1N....
258 3NZ0 - IZA C18 H16 F N3 O CC(C)(C)c1....
259 4GJ2 Ki = 2.5 nM 0XH C16 H12 Cl2 F N3 O2 c1cc(c(c(c....
260 3NYX Ki = 32 nM TZ1 C16 H9 Cl N4 O S3 c1cc(sc1)C....
261 3LXP - IZA C18 H16 F N3 O CC(C)(C)c1....
262 4GVJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
263 4GIH Ki = 0.0048 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
264 3C1X ic50 = 0.045 uM CKK C27 H27 F2 N7 O3 c1cc(ccc1C....
265 4CLJ Ki = 0.1 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
266 3LXN Ki = 4.4 nM MI1 C16 H20 N6 O C[C@@H]1CC....
267 4PY1 - 2YK C17 H16 N6 O2 S Cn1cc(cn1)....
268 4FEQ ic50 = 1.1 uM 0T8 C24 H33 N7 O2 c1cnccc1CC....
269 4FF8 ic50 = 0.4 uM 14S C25 H34 N6 O3 COc1ccccc1....
270 4DEH ic50 = 612 nM 0JK C21 H17 N5 O c1ccc(cc1)....
271 4PMT ic50 = 997 nM 31Y C23 H23 N7 O c1cc(cnc1)....
272 4AT4 ic50 = 0.012 uM T6E C20 H13 F4 N5 O S c1cc(ccc1c....
273 3G6H ic50 = 4.6 nM G6H C32 H28 F3 N7 O4 Cc1ccc(cc1....
274 4FIC ic50 = 20 uM 0UL C11 H9 N5 c1ccc(cc1)....
275 1YOL - S03 C25 H27 N5 O2 COc1cccc(c....
276 3F3U ic50 < 1 uM 1AW C20 H23 N5 O CC(C)(C)c1....
277 3DQX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
278 3U4W ic50 = 0.13 uM 08L C36 H46 N8 O8 c1ccc(cc1)....
279 4MXO Kd = 0.73 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
280 3F6X - IHH C22 H19 N7 c1ccc2c(c1....
281 3G6G ic50 = 18 nM G6G C35 H37 N9 O2 Cc1ccc(cc1....
282 2BDJ ic50 = 0.00045 uM HET C26 H30 N5 O2 P CP(=O)(C)c....
283 3U51 ic50 = 25 uM 08X C38 H49 N9 O7 c1ccc(cc1)....
284 2BDF ic50 = 0.067 uM 24A C20 H28 N6 O5 P2 CCn1cnc2c1....
285 3F3T ic50 = 64.1 uM 1AU C24 H25 N5 O CC(C)(C)c1....
286 3GEQ - PP2 C15 H17 Cl N5 CC(C)(C)n1....
287 3EN6 ic50 = 0.235 uM KS5 C17 H16 N6 CC(C)n1c2c....
288 3EL8 ic50 = 25 nM PD5 C22 H20 F3 N7 O CC(C)n1c2c....
289 3UQG - B5A C11 H16 N6 c1c2c(ncnc....
290 3UQF Ki = 0.2 uM BK5 C20 H21 N5 O CCOc1ccc2c....
291 4U5J ic50 = 2.92 uM RXT C17 H18 N6 c1c[nH]c2c....
292 4LGG ic50 = 4 nM VGG C17 H21 N5 Cc1cccc(c1....
293 3G5D ic50 = 0.0004 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
294 3DQW - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
295 2OIQ Kd = 42 uM STI C29 H31 N7 O Cc1ccc(cc1....
296 4IWD ic50 = 1 nM 1JC C29 H28 N6 O3 S c1ccnc(c1)....
297 3F82 ic50 = 3.9 nM 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
298 4H1J ic50 = 1200 nM 0YH C26 H30 N6 O2 Cc1ccc(cc1....
299 4H1M ic50 = 78 nM 0YJ C27 H32 N6 O2 Cc1ccc(cc1....
300 3FZT ic50 = 637 nM 4JZ C24 H27 N7 O2 Cc1ccc(cc1....
301 3FZP - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
302 3H3C ic50 = 140 nM P1E C19 H25 F3 N6 O2 S CNS(=O)(=O....
303 3FZS ic50 = 1.5 uM B96 C31 H37 N5 O3 Cc1ccc(cc1....
304 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
305 3EKK ic50 = 2 nM GS2 C27 H27 F N8 O3 CNC(=O)c1c....
306 4IBM ic50 = 1.8 uM IR1 C18 H10 N6 O c1ccc(cc1)....
307 1I44 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
308 3EKN ic50 = 2 nM GS3 C27 H31 F N8 O2 CC(C)N1CCN....
309 3G0E Kd = 20 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
310 4U0I ic50 < 11 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
311 4HVS ic50 = 0.016 uM 647 C21 H17 F3 N4 c1cc2c(c[n....
312 1T46 - STI C29 H31 N7 O Cc1ccc(cc1....
313 2P2H ic50 = 68 nM 994 C23 H22 N6 O3 COc1cc(cc(....
314 3KRL ic50 = 0.8 nM KRL C22 H27 N5 O2 CN1CCN(CC1....
315 3BEA ic50 = 0.003 uM IXH C29 H31 N7 O2 C[C@H]1CN(....
316 3DPK ic50 = 4.1 nM 8C5 C27 H34 N6 O3 CONC(=O)C1....
317 2I1M - 5CN C19 H21 N3 O3 CC1CCN(CC1....
318 3KRJ ic50 = 1 nM KRJ C22 H25 N5 O c1cc(c(cc1....
319 3LCD ic50 = 40 nM BDY C27 H30 Cl2 N6 O c1cc(c(c(c....
320 2I0Y - 5CN C19 H21 N3 O3 CC1CCN(CC1....
321 4AT5 ic50 = 0.038 uM MUJ C20 H22 N4 O3 COc1ccc(cc....
322 3ZBF Ki = 2.1 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
323 3QUP ic50 = 0.476 uM LUN C25 H27 F N4 O c1ccc2c(c1....
324 4K33 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
325 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
326 3BE2 ic50 = 2 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
327 2H8H ic50 = 2.7 nM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
328 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
329 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
330 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
331 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
332 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
333 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
334 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
335 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
336 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
337 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
338 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
339 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
340 4MF1 Ki = 1.9 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
341 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
342 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
343 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
344 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
345 3MJ1 Kd = 2.1 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
346 3MJ2 Kd = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
347 4M0Y Kd = 8.2 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
348 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
349 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 C[C@H](C(C....
350 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 C[C@@H](C1....
351 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 C[C@@H](C1....
352 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O C[C@@H]1CC....
353 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 C[C@H](C(=....
354 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O C[C@@H](C(....
355 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
356 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 C[C@H](C(=....
357 3EQP - T95 C33 H38 N6 O4 CCOc1ccccc....
358 1U4D - DBQ C11 H11 N5 O2 c1c[nH]c2c....
359 3EQR Ki = 0.002 uM T74 C29 H38 N8 O Cc1cccc(c1....
360 4TYJ - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
361 4UXQ Kd = 16 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
362 4QRC - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
363 2HK5 ic50 = 46 nM 1BM C24 H29 N7 O CCN(CC)CCN....
364 4F0F - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
365 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
366 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
367 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
368 1BYG - STU C28 H26 N4 O3 C[C@@]12[C....
369 4PMP ic50 = 4233 nM 31W C21 H18 F3 N3 O2 S c1cc(cc(c1....
370 1JPA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
371 3PLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
372 4CTB - KVC C23 H18 F N7 O2 C[C@@H]1c2....
373 3JS2 - VM1 C10 H7 N O2 S c1cc(sc1)c....
374 3RHX ic50 = 0.84 uM 3RH C18 H15 N3 c1ccc(cc1)....
375 4NKA Kd = 447 nM 2K7 C22 H25 N7 O3 Cc1cc(on1)....
376 2FGI Ki = 36.4 nM PD1 C28 H41 N7 O3 CCN(CC)CCC....
377 1FGI - SU1 C17 H16 N2 O3 Cc1c[nH]c(....
378 4V04 Kd = 7.7 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
379 4NKS Kd = 69.1 nM 2M2 C20 H21 N7 O Cc1cc(on1)....
380 3C4F ic50 = 1.9 uM C4F C15 H14 N2 O COc1cccc(c....
381 4F64 ic50 = 63 nM 0S8 C16 H20 Br N7 O2 Cc1cc(on1)....
382 1AGW - SU2 C20 H21 N3 O2 c1ccc2c(c1....
383 3WJ6 ic50 = 9.3 nM LWJ C20 H16 N6 O Cc1[nH]c2c....
384 4F65 ic50 = 2.5 nM 0S9 C20 H20 Br N7 O Cc1cc(on1)....
385 2IVS - ACK C10 H12 N5 O6 P c1nc(c2c(n....
386 2X2L ic50 = 5.3 uM X2L C16 H14 N2 O2 COc1ccc(cc....
387 2IVV - PP1 C16 H19 N5 Cc1ccc(cc1....
388 4CKI - ADN C10 H13 N5 O4 c1nc(c2c(n....
389 2IVU Ki = 375 nM ZD6 C22 H24 Br F N4 O2 CN1CCC(CC1....
390 4CKJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
391 2X2M ic50 = 0.17 uM X2M C15 H14 N2 O Cc1cc([nH]....
392 1MQB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
393 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
394 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
395 4CLI Ki < 0.07 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
396 4CCB - OFG C19 H18 F N7 O Cc1c(c[nH]....
397 4CMT Ki < 0.2 nM GWH C22 H22 F N5 O3 S C[C@H](c1c....
398 4CTC - J99 C23 H24 F N5 O2 C[C@@H]1c2....
399 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
400 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
401 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
402 4NWM ic50 = 0.038 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
403 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
404 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
405 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
406 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
407 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
408 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
409 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
410 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
411 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
412 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
413 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
414 2XYU ic50 = 4.5 uM Q9G C17 H17 F N4 Cc1ccc(cc1....
415 2Y6O ic50 = 25 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
416 4CMO Ki = 0.85 nM YPW C20 H20 F N5 O3 C[C@H](c1c....
417 4CMU Ki < 0.2 nM IV7 C21 H22 F N5 O2 Cc1c-2c(n(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STI; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 STI 1 1
2 MPZ 0.72549 0.945455
3 PRC 0.666667 0.642857
4 G6G 0.515625 0.887097
5 406 0.461538 0.828125
6 NIL 0.456693 0.66129
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 3KF4; Ligand: B90; Similar sites found: 536
This union binding pocket (no: 1) in the query (biounit: 3kf4.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3KF4 B90 5.134e-21 1
2 4MXO DB8 2.065e-14 0.77701
3 4P5Z Q7M 5.421e-11 0.66387
4 4F65 0S9 1.526e-11 0.66106
5 3IOK 1P6 3.586e-11 0.65887
6 4U0I 0LI 2.909e-10 0.64599
7 1OUK 084 6.175e-09 0.64558
8 3LQ8 88Z 1.875e-10 0.64524
9 3RWP ABQ 8.507e-10 0.63616
10 4F4P 0SB 8.94e-11 0.63474
11 4IWD 1JC 3.019e-11 0.61479
12 2OFV 242 1.386e-10 0.61386
13 4NWM 2P5 2.329e-09 0.6074
14 4AG8 AXI 1.607e-10 0.593
15 3VHE 42Q 1.455e-11 0.5919
16 2XB7 GUI 5.132e-10 0.58923
17 3BZ3 YAM 7.188e-09 0.58509
18 1PME SB2 1.644e-08 0.57281
19 3ZOS 0LI 3.474e-09 0.57223
20 2EVA ADN 1.345e-10 0.57014
21 2XVD AS6 6.595e-11 0.55993
22 3U6H 03X 1.872e-09 0.55952
23 4UXQ 0LI 7.603e-10 0.5546
24 1XKK FMM 1.67e-09 0.5534
25 2GU8 796 2.97e-07 0.54946
26 3NW7 LGV 3.025e-08 0.54
27 1VJY 460 1.647e-10 0.53736
28 2X2M X2M 4.551e-11 0.52984
29 2BPM 529 5.366e-07 0.52862
30 4ASE AV9 2.722e-10 0.52748
31 3V8T 477 1.551e-07 0.52407
32 2OO8 RAJ 5.611e-10 0.52181
33 3EQR T74 5.529e-10 0.52035
34 4GJ3 0XP 8.04e-09 0.51699
35 3E8N ATP 8.436e-07 0.51594
36 2Y6O 1N1 1.693e-11 0.51459
37 3VRY B43 5.156e-09 0.50944
38 3SXS PP2 7.102e-11 0.50908
39 3BE2 RAJ 2.697e-09 0.49924
40 3KRL KRL 2.592e-08 0.49781
41 2XMY CDK 7.108e-06 0.49556
42 2JDR GLY 7.213e-06 0.49534
43 4DCE 0JF 8.163e-10 0.49527
44 4CKR DI1 1.066e-08 0.49348
45 4C2V YJA 2.461e-07 0.49322
46 3RI1 3RH 3.266e-09 0.49298
47 3E7O 35F 3.894e-08 0.49155
48 4EQC XR1 2.578e-07 0.49038
49 3RGF BAX 8.048e-09 0.48888
50 1OPK P16 5.008e-10 0.48678
51 3E5A VX6 1.133e-07 0.48404
52 4WHZ 3NL 2.674e-05 0.48225
53 2WTV ZZL 2.069e-05 0.48126
54 1RE8 BD2 1.409e-05 0.48039
55 2X4Z X4Z 2.787e-07 0.47944
56 3BI6 396 6.032e-09 0.47841
57 4NW6 2NS 4.17e-07 0.47817
58 4BHN BH9 1.98e-08 0.47781
59 4E93 GUI 5.568e-06 0.47541
60 4NM5 ADP 5.965e-06 0.47474
61 3PP0 03Q 3.514e-08 0.47343
62 2P2I 608 2.035e-08 0.4734
63 3TKI S25 3.383e-08 0.47325
64 2HK5 1BM 7.8e-11 0.47324
65 2H8H H8H 7.561e-10 0.47186
66 2QU6 857 3.516e-08 0.46926
67 3LXK MI1 6.749e-07 0.46919
68 3THB 3TA 2.276e-06 0.46896
69 2YAK OSV 2.926e-07 0.46775
70 3C1X CKK 7.296e-08 0.46553
71 4CQE CQE 3.799e-09 0.46392
72 4BKY 82B 3.588e-08 0.46304
73 4X2K 3WO 3.697e-11 0.46176
74 4X2J 3WN 3.697e-11 0.46176
75 4PMP 31W 1.192e-09 0.45804
76 3GC8 B45 8.442e-09 0.4579
77 2WU6 DKI 2.321e-08 0.45657
78 2XNM WGZ 5.472e-07 0.45488
79 3SXF BK5 4.466e-06 0.45488
80 4BKJ STI 6.086e-08 0.45487
81 4CTB KVC 3.885e-09 0.45058
82 3EKK GS2 5.597e-08 0.4504
83 2Z7R STU 1.095e-07 0.4494
84 4CD0 AWJ 3.248e-08 0.4483
85 4KNB 1RU 3.843e-09 0.448
86 1Y57 MPZ 1.516e-08 0.44671
87 3EFK MT4 7.212e-07 0.44588
88 4OAC ADP 1.417e-08 0.44309
89 2NRY STU 1.839e-08 0.44222
90 1UNH IXM 1.198e-08 0.44197
91 1XJD STU 9.893e-08 0.44161
92 4QTB 38Z 4.565e-06 0.44003
93 2B9I ADP 7.357e-08 0.43933
94 4MKC 4MK 6.373e-08 0.4392
95 3AT4 CCK 3.277e-05 0.4383
96 4PMM 31V 7.703e-08 0.43827
97 2B9F ADP 1.437e-07 0.4376
98 3IGO ANP 2.465e-07 0.43729
99 4QTC 38Z 1.891e-06 0.43706
100 3SRV S19 6.389e-09 0.4364
101 1BYG STU 3.253e-09 0.43608
102 4AOI 4K0 3.444e-08 0.43577
103 3VBQ 0F5 0.0001012 0.43488
104 2B9H ADP 5.066e-08 0.43483
105 2B9J ADP 5.302e-08 0.43482
106 3TZM 085 1.296e-08 0.43481
107 4OH4 ANP 5.776e-08 0.43398
108 3EYH IZA 4.13e-08 0.43391
109 4CMT GWH 6.351e-08 0.43387
110 2ZV2 609 5.108e-09 0.43307
111 2P2H 994 4.315e-08 0.4329
112 4EYM 0RX 2.046e-07 0.43233
113 3MVH GLY 0.0003371 0.43218
114 4CTC J99 6.919e-09 0.43094
115 4H1M 0YJ 4.235e-05 0.43065
116 2NRU T12 1.22e-08 0.43014
117 4CFU 2WC 1.302e-08 0.4292
118 3IDB ANP 2.543e-06 0.42844
119 4FOB 0US 1.418e-07 0.42785
120 4CLI 5P8 1.149e-08 0.42783
121 3TTI KBI 2.132e-07 0.42768
122 3LXN MI1 4.278e-07 0.42745
123 1V0O INR 5.572e-07 0.42728
124 4E6D 0NU 5.451e-07 0.4268
125 3ZBF VGH 5.987e-09 0.42651
126 4OA2 ADP 1.406e-08 0.42633
127 3PLS ANP 7.36e-08 0.4254
128 4I5C C5I 5.068e-07 0.42531
129 3DLS ADP 1.341e-07 0.42441
130 3FHI ANP 1.627e-05 0.4242
131 4IJP 1EH 2.575e-07 0.42398
132 4KS7 X4Z 7.053e-07 0.42334
133 4OTH DRN 1.105e-06 0.42281
134 1PHK ATP 3.074e-07 0.42277
135 2RFN AM7 5.313e-07 0.42097
136 3QUP LUN 9.48e-08 0.42036
137 4MQ1 2C3 1.352e-06 0.42033
138 3PVW QRX 1.685e-05 0.41999
139 2PVN P63 3.516e-05 0.41904
140 4U44 3D9 5.19e-07 0.4185
141 2JLD AG1 9.141e-05 0.41841
142 4CCU AWF 3.367e-08 0.41785
143 4E6Q 0NV 6.159e-07 0.4178
144 2PVF ACP 2.592e-07 0.41554
145 3FI3 JK2 2.207e-05 0.41495
146 3F7Z 34O 8.879e-07 0.41487
147 3HMO STU 1.895e-07 0.4145
148 4NST ADP 2.862e-07 0.41368
149 3BU5 ATP 2.025e-09 0.41322
150 4E1Z 0MX 4.386e-06 0.41302
151 4CLJ 5P8 8.668e-08 0.41297
152 4CMO YPW 1.752e-08 0.41286
153 3EYG MI1 8.281e-07 0.41254
154 1U5R ATP 8.783e-08 0.41211
155 3O0G 3O0 1.912e-07 0.41118
156 4FL3 ANP 4.009e-06 0.41115
157 4H3Q ANP 1.483e-06 0.41112
158 2J7T 274 0.001263 0.41014
159 1Q8Y ADP 2.233e-06 0.40961
160 3M2W L8I 1.818e-07 0.40925
161 4LOO SB4 8.76e-07 0.40734
162 4BTK DTQ 5.388e-06 0.407
163 2OIC STU 1.68e-07 0.40679
164 2J90 IZA 2.161e-06 0.40608
165 4E4N 0NL 2.086e-06 0.40554
166 4E5W 0NT 1.709e-06 0.40511
167 2QCS ANP 4.395e-05 0.40442
168 1U59 STU 2.392e-07 0.40425
169 3BQC EMO 9.303e-06 0.40341
170 4C4F 7CE 1.551e-06 0.40287
171 3FHR P4O 4.065e-06 0.40269
172 2WEI VGG 5.245e-08 0.40238
173 4BCN T9N 2.676e-07 0.40162
174 4CCB OFG 6.6e-08 0.40155
175 2VAG V25 1.131e-06 0.40108
176 4EWH T77 2.523e-06 0.40074
177 4O1P ANP 2.58e-06 0.40067
178 4CMU IV7 2.333e-08 0.39941
179 3GNI ATP 2.486e-06 0.39771
180 1Q8Y ADE 1.125e-06 0.39764
181 4F9A ADP 1.607e-06 0.39756
182 4EUU BX7 5.511e-05 0.39746
183 4F99 ADP 3.151e-06 0.39745
184 4PMT 31Y 1.056e-06 0.39725
185 4IVD 15T 1.066e-05 0.39695
186 4IZY 1J2 1.839e-05 0.39619
187 4OAV ACP 6.48e-06 0.39609
188 3GQI ACP 1.436e-06 0.39532
189 2V7O DRN 2.08e-07 0.39527
190 4IVB 1J5 2.84e-06 0.39523
191 3C0I 3AM 1.378e-06 0.3941
192 4IVC 1J6 5.676e-06 0.39363
193 3BRB ADP 1.727e-06 0.39293
194 4N70 2HX 1.971e-06 0.39265
195 2XK9 XK9 0.006318 0.39258
196 4K1B 1OC 2.076e-06 0.3923
197 4OTI MI1 1.151e-05 0.39218
198 3ORK AGS 0.0001717 0.39004
199 2RIO ADP 1.23e-05 0.39
200 3H9R TAK 1.101e-07 0.38983
201 4KBA 1QM 1.262e-06 0.38902
202 4BBF O19 2.068e-06 0.38871
203 1CM8 ANP 2.605e-06 0.38833
204 4H3P ANP 6.45e-07 0.38767
205 4DEH 0JK 3.096e-07 0.38735
206 4ANW O92 0.0008 0.38711
207 4FG8 ATP 5.978e-05 0.38707
208 4MK0 29X 9.952e-05 0.38684
209 4IDT T28 4.591e-06 0.38628
210 4FOC 0UU 4.859e-07 0.38556
211 4QPM ADP 5.723e-05 0.38482
212 3GGF GVD 1.241e-06 0.38417
213 2YAB AMP 4.094e-05 0.38385
214 2ZM3 575 6.424e-07 0.38383
215 4BBE 3O4 1.543e-08 0.38305
216 3UYT 0CK 1.046e-06 0.38304
217 4FVQ ATP 1.183e-05 0.3828
218 3SG8 TOY 0.001218 0.38217
219 3UZP 0CK 3.409e-07 0.38187
220 3RE4 TO1 1.004e-05 0.38101
221 3A8W ATP 8.244e-06 0.38097
222 4F9B 0SY 4.697e-07 0.38038
223 1XR1 ANP 3.355e-06 0.37988
224 4NFN 2KC 8.498e-07 0.37963
225 4M69 ANP 8.458e-05 0.37962
226 3TXO 07U 1.205e-06 0.37902
227 4BCM T7Z 1.392e-06 0.37898
228 3A7H ATP 1.413e-05 0.3787
229 4I94 ANP 1.564e-05 0.37844
230 3V8S 0HD 2.61e-06 0.37814
231 2O2U 738 7.685e-09 0.37745
232 4N6Z 2HW 3.916e-06 0.37743
233 1ZP9 ATP 8.137e-06 0.37735
234 4JR7 GNP 3.25e-05 0.37724
235 4FK6 0UJ 1.054e-05 0.37665
236 3ZRM ZRM 8.311e-06 0.37624
237 1ZTH ADP 2.772e-06 0.37623
238 2PUL ACP 1.24e-05 0.376
239 3UIM ANP 6.257e-06 0.37565
240 4L3L 5FI 0.0001035 0.37409
241 3SLS ANP 7.687e-05 0.37399
242 4EHZ JAK 5.032e-06 0.37356
243 4IX4 ADP 0.0001245 0.37299
244 4CYI ATP 4.74e-05 0.37249
245 4OCJ NDG 0.003154 0.37196
246 4JDI ARG 0.006226 0.3717
247 4F9C 0SX 1.236e-05 0.37127
248 4E4L 0NH 2.667e-05 0.37091
249 4C58 824 0.005092 0.37061
250 4TWC 37J 1.999e-05 0.37035
251 3R0T FU9 1.432e-05 0.36993
252 1TQP ATP 0.0002159 0.36937
253 4TW9 386 2.306e-05 0.36925
254 4EI4 0Q2 6.794e-06 0.36908
255 4I6H 1C8 3.761e-05 0.36891
256 4GRB 0XG 1.116e-06 0.36891
257 4K77 1Q4 1.443e-05 0.36887
258 4X0M 3WA 2.092e-09 0.36834
259 2A19 ANP 2.034e-06 0.36813
260 3DAK ANP 6.751e-06 0.36792
261 4MWH ATP 8.788e-05 0.36781
262 4LFI GNP 0.0001591 0.36738
263 1PK8 ATP 0.0009274 0.36642
264 4G16 0VM 1.875e-05 0.36606
265 3I0O ADP 1.099e-05 0.36587
266 3PE2 E1B 2.552e-05 0.3652
267 4BFM ANP 1.998e-05 0.36384
268 4CNH 3U9 1.557e-07 0.36346
269 2VZ6 FEF 1.773e-05 0.36324
270 2OID ANP 2.929e-05 0.36307
271 4GW8 3RA 3.083e-05 0.36277
272 4KBC 1QJ 4.01e-08 0.3627
273 4OUC 5ID 4.168e-05 0.36263
274 3C0G 3AM 1.353e-07 0.36261
275 4F0F ACP 1.127e-05 0.36238
276 2VN9 GVD 4.868e-07 0.36233
277 3PE1 3NG 1.802e-05 0.36197
278 4C2W ANP 8.746e-06 0.36165
279 3W0O ADP 0.003332 0.36133
280 2PYW ADP 4.613e-05 0.36131
281 4BCQ TJF 1.747e-06 0.36082
282 4OCV ANP 0.0003206 0.3592
283 4ITH RCM 8.009e-05 0.35876
284 3OWL 19E 5.789e-07 0.35866
285 3VPB ADP 0.004741 0.35718
286 1MQB ANP 1.519e-06 0.3571
287 1IA9 ANP 0.0006382 0.35708
288 3LKM AMP 0.0009808 0.35704
289 4JQE ANP 3.464e-05 0.35691
290 4KWP EXX 5.869e-06 0.35562
291 3ALN ANP 0.0001903 0.35528
292 4GYI ADP 3.034e-05 0.3547
293 4G17 0VN 4.979e-05 0.35456
294 4AU8 Z3R 3.049e-05 0.35446
295 1T2A NDP 0.04866 0.35393
296 2R5T ANP 0.0001636 0.35389
297 4DC2 ADE 4.598e-07 0.35331
298 4FF8 14S 1.258e-06 0.35302
299 3LMP CEK 0.01687 0.35264
300 4JX7 1N6 0.0001081 0.35085
301 3B1M KRC 0.03584 0.35083
302 3VPC ADP 0.001028 0.35073
303 3T4V MD3 0.02648 0.35031
304 3CXW 7CP 6.276e-05 0.35005
305 4HNF 16W 1.168e-06 0.34986
306 3PTG 932 1.514e-05 0.34905
307 3TM0 ANP 0.01893 0.3479
308 3CY2 MB9 9.602e-06 0.3477
309 3QJ4 FAD 0.0291 0.34704
310 1K3A ACP 1.886e-05 0.34666
311 3KN5 ANP 5.658e-05 0.34629
312 2NNQ T4B 0.02305 0.34605
313 3OFM 4B0 4.752e-07 0.34586
314 2WEL K88 1.068e-06 0.34527
315 3Q60 ATP 0.0002352 0.34525
316 4Q5H ANP 0.0009411 0.34523
317 3KMW ATP 0.0002201 0.34507
318 4O4F ATP 0.005967 0.34501
319 2IV2 MGD 0.04524 0.3438
320 4MBI 26K 6.468e-05 0.34244
321 4AZW ATP 0.001834 0.3422
322 1I7L ATP 0.001391 0.3417
323 3C6K MTA 0.04958 0.3413
324 2J51 DKI 0.02036 0.34128
325 2Q7D ANP 0.00891 0.34119
326 3G9E RO7 0.0287 0.3408
327 1ZY5 ANP 0.0001336 0.33992
328 1DR1 NAP 0.03364 0.33986
329 3UDZ ADP 0.001008 0.33938
330 4PU5 ANP 0.006038 0.33929
331 4F1M ACP 3.739e-05 0.3392
332 3TDV GDP 0.002355 0.33915
333 3VOT ADP 0.0009123 0.33914
334 1Z2P ACP 0.02595 0.33856
335 2IO8 ADP 0.006594 0.33856
336 3HAV ATP 0.005132 0.33795
337 1IOW ADP 0.02778 0.33787
338 3O26 NDP 0.02922 0.33785
339 2BKK ADP 0.0006729 0.33778
340 1XG5 NAP 0.03571 0.33767
341 4EJN 0R4 0.001743 0.33756
342 4FHH 0U3 0.0446 0.33755
343 4O0L NDP 0.03711 0.33679
344 3DNT ATP 0.01081 0.33675
345 1N8I GLV 0.02391 0.33653
346 2VPQ ANP 0.005716 0.33616
347 3OWK 18E 6.982e-06 0.33599
348 4NMC FAD 0.039 0.33566
349 3GC0 AMP 0.0001113 0.33559
350 2WKQ FMN 0.008344 0.33559
351 4O2B ACP 0.006759 0.33516
352 2WQN ADP 3.056e-05 0.33511
353 2YW2 ATP 0.004242 0.33436
354 3L9R L9R 0.02267 0.33407
355 2PR5 FMN 0.007102 0.33341
356 3ANP DCC 0.04769 0.33266
357 2AQX ATP 0.007234 0.33243
358 1EHI ADP 0.007204 0.3315
359 2E5A LAQ 0.03386 0.32996
360 4POJ 2VP 0.03106 0.32968
361 2WLG SOP 0.03166 0.32919
362 4LRJ ANP 0.000666 0.32908
363 3PDT ADP 0.004727 0.32904
364 2WXG ZZN 0.0255 0.32885
365 2VQD AP2 0.01213 0.32864
366 1JGT APC 0.04603 0.32843
367 2QLU ADE 4.072e-07 0.32769
368 3HZT J60 0.000477 0.32722
369 3C0H AMP 5.992e-06 0.32661
370 2PZI AXX 0.0001517 0.3265
371 4OR7 NAP 0.03678 0.32641
372 3AQV TAK 0.0004837 0.32595
373 3VHU SNL 0.02721 0.32585
374 2OXY K17 3.753e-06 0.32556
375 1M2Z DEX 0.01081 0.32495
376 3T1A 5MA 0.005884 0.32383
377 3AKK ADP 0.009545 0.32324
378 1W2D 4IP 0.02073 0.32301
379 3TPV ADE 0.01312 0.3228
380 3WVR AMP 0.004058 0.32275
381 1P7T ACO 0.01167 0.32177
382 3JPV 1DR 0.0001007 0.32131
383 1EE0 CAA 0.04576 0.32086
384 3OFK SAH 0.01588 0.32003
385 4F1O ACP 0.000325 0.31968
386 2ZMF CMP 0.01361 0.3196
387 3JSZ UPG 0.02682 0.31945
388 3PN1 IVH 0.001386 0.31859
389 2IF8 ADP 5.232e-05 0.31822
390 4ORR PE3 0.02684 0.31779
391 2V0U FMN 0.01391 0.31754
392 4M8E 29V 0.01449 0.31741
393 3P7N FMN 0.01015 0.31716
394 3T3C 017 0.04076 0.31705
395 4AUA 4AU 0.0001499 0.31683
396 3GN8 DEX 0.01255 0.31639
397 4GCZ FMN 0.01256 0.31594
398 3TFJ THG 0.02218 0.31535
399 3MB6 01I 1.255e-05 0.31533
400 1RPN GDP 0.02686 0.31482
401 3TII ANP 0.002946 0.31473
402 4ORK GDP 0.01025 0.31387
403 4EES FMN 0.01726 0.31375
404 1JPA ANP 4.896e-08 0.3132
405 1EU8 TRE 0.03961 0.31209
406 4BNU 9KQ 0.04435 0.31185
407 2Z6D FMN 0.01748 0.31175
408 3WAR NIO 4.034e-06 0.31161
409 1M0W ANP 0.02235 0.31081
410 2WFG ZZB 0.01528 0.31077
411 3ORQ ADP 0.01733 0.31069
412 3L0L HC3 0.04935 0.31056
413 2Q4H AMP 0.03615 0.30989
414 4KU7 PCG 0.004851 0.30984
415 2Z6C FMN 0.01774 0.30979
416 1NY5 ADP 0.01491 0.3079
417 3H0A 9RA 0.03194 0.30741
418 4UWH JXM 0.02156 0.30725
419 3T4L ZEA 0.02938 0.30707
420 1WBP ADP 0.001876 0.30618
421 4RLL E91 0.000126 0.30612
422 2Q7J TES 0.04556 0.30503
423 3GKJ HC3 0.03126 0.30484
424 1N9L FMN 0.03485 0.30474
425 3MKN DNB 0.03682 0.30456
426 3THR C2F 0.01898 0.30446
427 3P2H NOO 0.03467 0.30401
428 3ACL 3F1 0.01322 0.30392
429 1DZK PRZ 0.02559 0.30385
430 1YC4 43P 0.03477 0.3038
431 4F1T H52 0.002385 0.3037
432 4O9S 2RY 0.04695 0.30268
433 1RDS GPC 0.04828 0.30187
434 4R38 RBF 0.02862 0.30185
435 2XWL CTP 0.04855 0.30176
436 3S7D SAH 0.04797 0.30162
437 4HIA FMN 0.04224 0.30145
438 4FL0 PLP 0.04486 0.30134
439 3PFF ADP 0.04475 0.30071
440 2QK4 ATP 0.007574 0.30047
441 1WS1 BB2 0.03775 0.30047
442 4AZT LY2 0.01695 0.30009
443 3TG5 SAH 0.04445 0.30006
444 2BCG GER 0.005736 0.29999
445 2VAT COA 0.0289 0.2998
446 2RDE C2E 0.04905 0.29868
447 3SLS 77D 0.01667 0.29807
448 2FQX GMP 0.04208 0.2977
449 4CU1 71S 0.03237 0.29759
450 3SQP 3J8 0.001348 0.29747
451 2IYL GDP 0.04773 0.29725
452 2CFM AMP 0.01619 0.29686
453 3S0E EOL 0.02722 0.29631
454 1XMU ROF 0.04226 0.29555
455 4FLP JQ1 0.02611 0.29531
456 4JE7 BB2 0.04833 0.29506
457 1W9O ASN 0.01009 0.29455
458 4G31 0WH 0.0003847 0.29419
459 3GXO MQA 0.03854 0.29397
460 1CBK ROI 0.01163 0.29383
461 3TY5 ATP 0.04121 0.29372
462 1TZD ADP 0.0007506 0.29327
463 4FH7 TBP 0.03586 0.29275
464 4DFU QUE 0.006564 0.29209
465 4LI4 AMP 0.02606 0.29183
466 4PAB THG 0.04502 0.29176
467 3W68 VIV 0.04353 0.29149
468 4K55 H6P 7.718e-05 0.29019
469 1N7F ALA 0.04157 0.28966
470 1VRP ADP 0.009363 0.28854
471 1X9Q FLU 0.004957 0.28848
472 2PX8 MGT 0.04518 0.28838
473 3H0L ADP 0.02493 0.28787
474 3TD3 GLY 0.03755 0.28764
475 4DSU BZI 0.00263 0.2872
476 3KFF XBT 0.01592 0.28699
477 3JU6 ANP 0.01004 0.28624
478 4BJX 73B 0.01787 0.2859
479 1NQ7 HIS 0.005216 0.28542
480 3QBC B55 0.005886 0.28471
481 1GYB GLY 0.003726 0.28377
482 2YRX AMP 0.02119 0.28241
483 3PUR 2HG 0.00962 0.28211
484 1NBU PH2 0.04548 0.28126
485 1S5O 152 0.03209 0.28125
486 2A9W GA9 0.01405 0.28112
487 2YKL NLD 0.00299 0.28083
488 3OI7 OI7 0.03343 0.28071
489 4JWX 1N4 0.02091 0.28
490 2DC1 CIT 0.02521 0.28
491 2ANY BAM 0.04598 0.27977
492 2G30 ALA 9.727e-05 0.27801
493 1CT9 GLN 0.04734 0.27792
494 1VBO MAN 0.0356 0.2774
495 3RLF MAL 0.03512 0.27732
496 3BP1 GUN 0.005482 0.27659
497 2P3I MNA 0.00939 0.27615
498 2QQD AG2 0.0421 0.27585
499 3HYW DCQ 0.02167 0.27581
500 3ETG GWD 0.004296 0.27537
501 2ZL7 FUC 0.003648 0.27481
502 4J6W CTP 0.02553 0.27394
503 3CM2 X23 0.04404 0.27392
504 4ARE FLC 0.009128 0.27361
505 1W62 PYC 0.02465 0.27329
506 1KQR MNA 0.007487 0.273
507 2BWN SIN 0.01959 0.27288
508 2F2T 5IQ 0.01513 0.27266
509 3CBC DBS 0.01329 0.27263
510 2UW1 GVM 0.04637 0.27233
511 1KEL AAH 0.04169 0.27211
512 4MA7 P2Z 0.02571 0.27194
513 3R9V DXC 0.04751 0.27159
514 3CV2 COA 0.02031 0.27078
515 4NY3 PRO 0.02379 0.2707
516 3HP9 CF1 0.03748 0.27025
517 1A0J BEN 0.04843 0.27015
518 1EVH ACE 0.03619 0.26959
519 3DZ6 PUT 0.01442 0.26926
520 2WZ5 MET 0.004909 0.26912
521 2Z9I GLY 0.02079 0.26777
522 2EA1 GPG 0.03514 0.26664
523 4G0A G 0.02752 0.26433
524 2VJ0 PHE 0.04522 0.26383
525 3JQA DX4 0.0123 0.26266
526 3ZQE DXC 0.04731 0.26111
527 1JL0 PUT 0.03483 0.25929
528 1I7M PUT 0.03925 0.2588
529 1QXA GLY 0.0431 0.25795
530 3SXU ASP 0.005805 0.25782
531 4G9Z C 0.03718 0.25669
532 3TDC 0EU 0.009076 0.25401
533 4CS9 AMP 0.01242 0.25219
534 4PTN PYR 0.02228 0.25159
535 1NA3 IPT 0.04793 0.25052
536 1FEE SUC 0.002833 0.24887
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