Receptor
PDB id Resolution Class Description Source Keywords
1h01 1.79 Å EC: 2.7.11.22 CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR HOMO SAPIENS SERINE/THREONINE-PROTEIN KINASE MITOSIS TRANSFERASE
Ref.: CYCLIN-DEPENDENT KINASE 4 INHIBITORS AS A TREATMENT FOR CANCER. PART 1: IDENTIFICATION AND OPTIMISATION OF SUBSTITUTED 4,6-BIS ANILINO PYRIMIDINES BIOORG.MED.CHEM.LETT. V. 13 2955 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAL A:301;
Valid;
none;
ic50 = 22 uM
448.346 C21 H23 Cl2 N5 O2 CN(C)...
FBL A:302;
Valid;
none;
ic50 = 22 uM
448.346 C21 H23 Cl2 N5 O2 CN(C)...
GOL A:299;
A:300;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XMY 1.9 Å EC: 2.7.11.22 DISCOVERY AND CHARACTERISATION OF 2-ANILINO-4-(THIAZOL-5-YL) PYRIMIDINE TRANSCRIPTIONAL CDK INHIBITORS AS ANTICANCER A GENTS HOMO SAPIENS CELL CYCLE TRANSFERASE CDK9 INHIBITOR
Ref.: DISCOVERY AND CHARACTERISATION OF 2-ANILINO-4-( THIAZOL-5-YL)PYRIMIDINE TRANSCRIPTIONAL CDK INHIBIT ANTICANCER AGENTS CHEM.BIOL. V. 17 1111 2010
Members (138)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
3 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
4 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
5 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
6 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
7 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
8 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
9 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
10 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
11 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
12 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
13 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
14 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
15 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
16 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
17 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
18 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
19 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
20 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
21 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
22 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
23 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
24 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
25 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
26 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
27 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
28 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
29 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
30 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
31 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
32 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
33 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
34 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
35 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
36 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
37 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
38 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
39 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
40 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
41 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
42 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
43 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
44 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
45 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
46 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
47 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
48 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
49 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
50 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
51 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
52 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
53 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
54 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
55 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
56 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
57 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
58 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
59 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
61 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
62 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
63 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
64 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
65 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
66 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
67 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
68 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
69 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
70 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
71 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
72 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
73 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
74 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
75 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
76 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
77 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
78 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
79 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
80 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
81 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
82 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
83 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
84 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
85 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
86 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
87 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
88 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
89 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
90 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
91 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
92 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
93 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
94 1H08 - BYP BWP n/a n/a
95 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
96 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
97 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
98 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
99 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
100 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
101 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
102 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
103 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
104 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
105 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
106 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
107 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
108 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
109 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
110 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
111 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
112 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
113 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
114 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
115 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
116 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
117 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
118 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
119 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
120 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
121 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
122 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
123 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
124 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
125 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
126 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
127 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
128 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
129 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
130 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
131 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
132 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
133 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
134 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
135 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
136 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
138 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
70% Homology Family (141)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
3 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
4 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
5 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
6 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
7 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
8 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
9 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
10 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
11 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
12 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
13 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
14 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
15 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
16 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
17 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
18 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
19 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
20 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
21 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
22 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
23 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
24 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
25 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
26 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
27 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
28 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
29 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
30 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
31 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
32 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
33 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
34 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
35 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
36 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
37 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
38 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
39 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
40 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
41 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
42 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
43 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
44 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
45 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
46 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
47 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
48 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
49 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
50 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
51 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
52 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
53 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
54 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
55 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
56 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
57 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
58 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
59 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
61 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
62 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
63 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
64 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
65 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
66 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
67 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
68 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
69 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
70 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
71 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
72 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
73 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
74 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
75 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
76 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
77 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
78 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
79 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
80 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
81 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
82 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
83 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
84 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
85 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
86 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
87 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
88 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
89 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
90 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
91 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
92 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
93 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
94 1H08 - BYP BWP n/a n/a
95 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
96 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
97 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
98 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
99 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
100 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
101 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
102 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
103 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
104 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
105 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
106 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
107 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
108 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
109 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
110 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
111 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
112 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
113 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
114 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
115 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
116 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
117 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
118 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
119 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
120 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
121 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
122 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
123 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
124 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
125 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
126 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
127 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
128 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
129 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
130 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
131 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
132 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
133 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
134 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
135 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
136 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
138 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
139 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
140 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
141 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
50% Homology Family (385)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 68 families.
1 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
2 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
3 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
4 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
5 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
6 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
7 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
8 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
9 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
10 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
11 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
12 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
13 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
14 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
17 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
18 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
19 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
21 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
22 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
23 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
24 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
25 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
26 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
27 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
28 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
29 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
30 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
31 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
33 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
34 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
35 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
36 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
37 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
38 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
39 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
40 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
41 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
42 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
43 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
44 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
45 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
46 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
47 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
48 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
49 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
50 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
51 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
52 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
53 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
54 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
55 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
56 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
57 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
58 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
59 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
60 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
61 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
62 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
63 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
64 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
65 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
66 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
67 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
68 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
69 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
70 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
71 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
72 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
73 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
74 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
75 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
76 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
77 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
78 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
79 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
80 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
81 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
82 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
83 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
84 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
85 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
86 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
87 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
88 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
89 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
90 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
91 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
92 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
93 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
94 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
95 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
96 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
97 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
98 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
99 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
100 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
101 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
102 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
103 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
104 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
105 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
106 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
107 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
108 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
109 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
110 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
111 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
112 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
113 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
114 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
115 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
116 1H08 - BYP BWP n/a n/a
117 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
118 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
119 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
120 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
121 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
122 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
123 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
124 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
125 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
126 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
127 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
128 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
129 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
130 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
131 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
132 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
133 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
134 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
135 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
136 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
137 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
138 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
139 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
140 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
141 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
142 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
143 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
144 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
145 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
146 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
147 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
148 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
149 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
150 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
151 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
152 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
153 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
154 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
155 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
156 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
157 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
158 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
159 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
160 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
161 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
162 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
163 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
164 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
165 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
166 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
167 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
168 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
169 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
170 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
171 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
172 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
173 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
174 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
175 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
176 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
177 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
178 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
179 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
180 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
181 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
182 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
183 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
184 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
185 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
186 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
187 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
188 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
189 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
190 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
191 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
192 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
193 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
194 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
195 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
196 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
197 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
198 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
199 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
200 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
201 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
202 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
203 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
204 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
205 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
206 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
207 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
208 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
209 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
210 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
211 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
213 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
214 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
215 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
216 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
217 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
218 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
219 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
220 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
221 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
222 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
223 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
224 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
225 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
226 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
227 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
228 3QD4 ic50 = 1e-08 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
229 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
230 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
231 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
232 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
233 3QD0 ic50 = 1e-08 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
234 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
235 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
236 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
237 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
238 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
239 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
240 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
241 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
242 3QCS ic50 = 1e-08 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
243 3QCX ic50 = 1e-08 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
244 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
245 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
246 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
247 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
248 3QCY ic50 = 1e-08 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
249 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
250 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
251 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
252 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
253 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
254 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
255 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
256 4DGO ic50 = 0.57 uM 0JW C10 H10 N2 O3 c1cc(c(cc1....
257 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
258 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
259 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
260 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
261 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
262 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
263 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
264 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
265 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
266 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
267 3SLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
268 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
269 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
270 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
271 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
272 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
273 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
274 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
275 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
276 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
277 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
278 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
279 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
280 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
281 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
282 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
283 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
284 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
285 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
286 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
287 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
288 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
289 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
290 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
291 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
292 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
293 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
294 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
295 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
296 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
297 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
298 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
299 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
300 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
301 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
302 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
303 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
304 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
305 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
306 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
307 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
308 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
309 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
310 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
311 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
312 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
313 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
314 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
315 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
316 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
317 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
318 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
319 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
320 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
321 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
322 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
323 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
324 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
325 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
326 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
327 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
328 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
329 2UV2 - GVD C22 H19 N7 c1ccc2c(c1....
330 2JFL - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
331 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
332 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
333 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
334 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
335 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
336 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
337 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
338 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
339 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
340 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
341 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
342 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
343 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
344 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
345 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
346 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
347 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
348 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
349 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
350 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
351 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
352 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
353 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
354 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
355 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
356 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
357 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
358 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
359 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
360 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
361 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
362 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
363 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
364 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
365 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
366 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
367 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
368 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
369 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
370 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
371 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
372 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
373 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
374 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
375 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
376 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
377 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
378 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
379 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
380 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
381 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
382 3AQV - TAK C24 H25 N5 O c1cc(ccc1c....
383 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
384 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
385 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAL; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FAL 1 1
2 FBL 1 1
3 HDY 0.429907 0.8
4 3FP 0.40566 0.9375
Ligand no: 2; Ligand: FBL; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FAL 1 1
2 FBL 1 1
3 HDY 0.429907 0.8
4 3FP 0.40566 0.9375
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 2XMY; Ligand: CDK; Similar sites found: 549
This union binding pocket (no: 1) in the query (biounit: 2xmy.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2XMY CDK 5.312e-23 1
2 2BPM 529 1.624e-08 0.535
3 3RWP ABQ 7.14e-08 0.53043
4 4NWM 2P5 3.167e-08 0.52045
5 3E8N ATP 2.326e-08 0.51896
6 2JLD AG1 1.267e-09 0.51242
7 2WTV ZZL 4.014e-07 0.50826
8 4NW6 2NS 8.664e-10 0.50612
9 2GU8 796 5.716e-07 0.50585
10 3IOK 1P6 3.76e-08 0.50511
11 3THB 3TA 5.721e-09 0.49765
12 4WHZ 3NL 1.601e-06 0.49502
13 3LXK MI1 1.482e-09 0.49243
14 2JDR GLY 1.415e-06 0.4887
15 4C2V YJA 7.76e-09 0.48795
16 1XKK FMM 1.117e-08 0.48451
17 4GJ3 0XP 2.753e-09 0.48277
18 1RE8 BD2 1.317e-06 0.47971
19 1OUK 084 3.229e-05 0.47607
20 3SXF BK5 2.987e-08 0.47509
21 2PVN P63 8.108e-09 0.47433
22 3BZ3 YAM 5.6e-07 0.47311
23 4F4P 0SB 4.259e-07 0.47191
24 4F65 0S9 6.259e-07 0.46761
25 1PME SB2 1.271e-06 0.46673
26 3V8T 477 6.269e-07 0.4641
27 3FHI ANP 1.993e-08 0.46354
28 4MXO DB8 2.017e-06 0.46315
29 3VBQ 0F5 7.523e-07 0.46145
30 2XB7 GUI 2.807e-07 0.46068
31 1V0O INR 1.727e-10 0.45893
32 2X4Z X4Z 7.125e-08 0.45769
33 3TKI S25 1.126e-09 0.45759
34 3MVH GLY 1.054e-05 0.45244
35 4AG8 AXI 2.607e-07 0.44745
36 2Z7R STU 2.516e-09 0.44648
37 3VRY B43 5.445e-08 0.44635
38 4QTB 38Z 9.525e-08 0.44537
39 4IWD 1JC 7.167e-07 0.44439
40 2OFV 242 1.562e-06 0.4435
41 3KF4 B90 7.108e-06 0.44307
42 2QCS ANP 6.163e-08 0.442
43 4E93 GUI 4.644e-06 0.43955
44 4P5Z Q7M 1.609e-05 0.4391
45 3LXN MI1 1.797e-09 0.43906
46 3LQ8 88Z 2.098e-05 0.43801
47 4BKY 82B 7.425e-09 0.43717
48 4NM5 ADP 6.983e-06 0.43336
49 3IDB ANP 4.073e-08 0.43203
50 1VJY 460 9.838e-08 0.43196
51 3E7O 35F 7.568e-08 0.43161
52 4BHN BH9 3.49e-08 0.43147
53 4M69 ANP 2.958e-08 0.42857
54 4I5C C5I 6.093e-09 0.42837
55 3KRL KRL 2.834e-07 0.42826
56 3AT4 CCK 4.198e-06 0.4263
57 2NRY STU 2.19e-09 0.42365
58 2YAK OSV 7.459e-07 0.4236
59 3EQR T74 1.051e-07 0.42304
60 3O0G 3O0 7.435e-11 0.42295
61 3NW7 LGV 1.112e-05 0.42258
62 1XJD STU 8.264e-09 0.42241
63 4E6D 0NU 1.469e-08 0.42203
64 4U0I 0LI 0.0001246 0.42187
65 3PP0 03Q 9.716e-08 0.42166
66 2B9F ADP 3.017e-08 0.42048
67 4FL3 ANP 9.072e-08 0.41967
68 4EQC XR1 3.489e-06 0.41904
69 4MQ1 2C3 1.436e-07 0.41834
70 4IVD 15T 2.199e-08 0.41763
71 2XVD AS6 9.324e-07 0.41746
72 3IGO ANP 1.131e-07 0.41746
73 3BI6 396 3.315e-08 0.41722
74 3VHE 42Q 1.135e-06 0.41664
75 4QTC 38Z 4.953e-07 0.41645
76 1UNH IXM 2.825e-09 0.41625
77 3TTI KBI 1.991e-08 0.41572
78 4IZY 1J2 2.17e-07 0.41569
79 4JDI ARG 2.53e-05 0.41542
80 2EVA ADN 1.464e-06 0.4154
81 4E1Z 0MX 7.811e-08 0.415
82 4FG8 ATP 3.006e-07 0.41432
83 3EYG MI1 2.246e-08 0.41417
84 3EKK GS2 9.504e-08 0.41324
85 3PVW QRX 1.618e-06 0.41258
86 4EUU BX7 3.623e-07 0.41215
87 2R5T ANP 1.219e-08 0.41168
88 4OTI MI1 1.871e-08 0.41165
89 2XNM WGZ 1.373e-06 0.40949
90 4JR7 GNP 1.239e-08 0.40931
91 2WU6 DKI 2.193e-07 0.4092
92 4BCN T9N 1.187e-10 0.40865
93 4LFI GNP 2.188e-07 0.4082
94 1PHK ATP 1.312e-07 0.40579
95 4CFU 2WC 2.223e-09 0.40565
96 4OTH DRN 6.488e-08 0.40532
97 2B9I ADP 1.204e-07 0.40531
98 4C4F 7CE 1.056e-08 0.40441
99 4E6Q 0NV 7.671e-08 0.40383
100 4E5W 0NT 5.71e-08 0.40336
101 4E4N 0NL 5.707e-08 0.40332
102 4MWH ATP 2.656e-07 0.40297
103 3EYH IZA 6.487e-08 0.40268
104 4IVC 1J6 4.231e-08 0.40228
105 3ORK AGS 3.994e-06 0.40224
106 4BCM T7Z 8.487e-10 0.40183
107 3SLS ANP 3.906e-07 0.40175
108 4QPM ADP 8.771e-07 0.40148
109 4OH4 ANP 4.683e-08 0.40122
110 4MKC 4MK 9.784e-08 0.40101
111 4ASE AV9 1.069e-06 0.40074
112 4OAC ADP 6.111e-08 0.40073
113 1Q8Y ADP 1.176e-06 0.40047
114 2YAB AMP 1.524e-07 0.40041
115 3RI1 3RH 9.091e-07 0.40008
116 3F7Z 34O 1.002e-07 0.39898
117 3SXS PP2 4.174e-07 0.39666
118 3FHR P4O 2.136e-07 0.39665
119 4KS7 X4Z 6.733e-07 0.39573
120 3EFK MT4 2.989e-06 0.39459
121 4H3Q ANP 1.826e-06 0.39457
122 4IVB 1J5 5.335e-08 0.39386
123 3TZM 085 5.433e-08 0.39327
124 2B9H ADP 2.61e-07 0.39257
125 3U6H 03X 5.463e-05 0.39242
126 1OPK P16 1.122e-07 0.3924
127 4CQE CQE 2.185e-07 0.39233
128 4MK0 29X 3.989e-06 0.39206
129 2X2M X2M 9.234e-07 0.39202
130 2RIO ADP 8.81e-07 0.39202
131 2OIC STU 1.439e-08 0.39198
132 4U44 3D9 1.164e-07 0.39175
133 2J90 IZA 3.444e-07 0.39129
134 3E5A VX6 1.626e-05 0.39123
135 4IJP 1EH 6.288e-07 0.39122
136 3GNI ATP 3.151e-07 0.39115
137 2H8H H8H 2.47e-07 0.39085
138 2B9J ADP 3.835e-07 0.39037
139 2VAG V25 4.633e-07 0.38942
140 3C0I 3AM 4.017e-08 0.38898
141 4F99 ADP 4.476e-07 0.38888
142 3ALN ANP 2.672e-07 0.38863
143 4NST ADP 2.468e-07 0.38757
144 4L3L 5FI 2.491e-06 0.38744
145 3BQC EMO 5.303e-06 0.38728
146 3V8S 0HD 2.257e-08 0.38719
147 4OUC 5ID 3.024e-08 0.38671
148 3A8W ATP 7.977e-07 0.38621
149 1U5R ATP 1.326e-07 0.38579
150 4FVQ ATP 3.521e-07 0.38483
151 3A7H ATP 2.082e-07 0.38477
152 3HMO STU 1.023e-07 0.38477
153 4E4L 0NH 5.681e-08 0.38389
154 4IDT T28 3.9e-07 0.38326
155 3GC8 B45 9.526e-07 0.38175
156 3FI3 JK2 2.704e-05 0.38062
157 3UIM ANP 2.093e-07 0.38012
158 4JQE ANP 1.558e-07 0.3798
159 4UXQ 0LI 4.287e-05 0.37978
160 4H1M 0YJ 0.0001406 0.37952
161 4K77 1Q4 6.543e-08 0.37816
162 1BYG STU 8.206e-08 0.37814
163 3DLS ADP 5.509e-07 0.37748
164 2PVF ACP 1.829e-06 0.37655
165 2RFN AM7 2.574e-06 0.37639
166 2P2I 608 5.933e-06 0.376
167 3M2W L8I 8.902e-07 0.37588
168 4I6H 1C8 4.586e-07 0.37574
169 4FK6 0UJ 4.07e-07 0.37423
170 4F9A ADP 1.519e-06 0.3742
171 3PLS ANP 2.069e-06 0.37418
172 2ZV2 609 1.458e-07 0.37376
173 4I94 ANP 1.124e-06 0.37337
174 4FOB 0US 4.094e-06 0.37231
175 4OA2 ADP 3.277e-07 0.37229
176 4O1P ANP 5.019e-06 0.37226
177 2QU6 857 3.29e-06 0.37219
178 2Y6O 1N1 3.674e-06 0.37201
179 4CTB KVC 1.508e-06 0.3716
180 3LKM AMP 3.976e-05 0.37016
181 4C2W ANP 1.073e-07 0.37001
182 4BBF O19 1.242e-06 0.36999
183 3SRV S19 7.951e-07 0.36958
184 4OCJ NDG 0.0007385 0.36926
185 4IX4 ADP 1.914e-05 0.36926
186 4AU8 Z3R 8.641e-09 0.36905
187 1CM8 ANP 1.762e-06 0.369
188 1U59 STU 1.501e-07 0.36883
189 4CMT GWH 4.386e-06 0.36882
190 3SG8 TOY 0.0005134 0.36879
191 4BFM ANP 2.427e-06 0.36823
192 4EWH T77 4.549e-06 0.36761
193 4LOO SB4 7.702e-06 0.36754
194 3TDV GDP 1.755e-05 0.3674
195 4N6Z 2HW 5.477e-08 0.36737
196 2VZ6 FEF 9.347e-08 0.36674
197 2CSN CKI 0.009563 0.36659
198 4CD0 AWJ 5.493e-06 0.36621
199 3ZRM ZRM 1.296e-06 0.36577
200 3GGF GVD 8.11e-08 0.36558
201 4OAV ACP 6.495e-06 0.36522
202 3ZOS 0LI 0.001029 0.36501
203 4AOI 4K0 5.008e-06 0.36492
204 4N70 2HX 7.419e-07 0.36492
205 4EI4 0Q2 1.01e-07 0.36461
206 3GQI ACP 5.797e-06 0.36451
207 4BTK DTQ 1.642e-05 0.36422
208 3RGF BAX 4.5e-05 0.3638
209 3BRB ADP 1.277e-06 0.36359
210 1TQP ATP 7.126e-05 0.36338
211 4DCE 0JF 2.588e-05 0.36291
212 4F9C 0SX 1.521e-06 0.36269
213 1Y57 MPZ 1.667e-05 0.36226
214 4ANW O92 0.001187 0.36161
215 4GW8 3RA 3.152e-07 0.36049
216 2V7O DRN 2.474e-07 0.36047
217 2OID ANP 2.611e-06 0.36008
218 1MQB ANP 8.685e-08 0.35996
219 4EHZ JAK 2.952e-07 0.35983
220 1Q8Y ADE 6.189e-06 0.35873
221 4X2J 3WN 8.324e-07 0.35814
222 4X2K 3WO 8.324e-07 0.35814
223 4K1B 1OC 1.787e-06 0.35796
224 3PE2 E1B 1.543e-06 0.35702
225 2AG4 LP3 0.04156 0.35641
226 2P2H 994 2.78e-06 0.3564
227 2NRU T12 6.943e-06 0.35609
228 3BE2 RAJ 4.812e-05 0.35599
229 1IA9 ANP 0.0001278 0.35539
230 3H9R TAK 6.428e-07 0.35529
231 2ZM3 575 1.042e-06 0.3545
232 4PMM 31V 1.019e-05 0.35438
233 4CKR DI1 0.000107 0.35428
234 3PE1 3NG 8.308e-07 0.35419
235 4PMP 31W 4.054e-06 0.3533
236 4CYI ATP 2.38e-05 0.35285
237 3VPB ADP 0.001656 0.35182
238 3R0T FU9 2.074e-06 0.35177
239 2VN9 GVD 3.005e-08 0.35176
240 2OO8 RAJ 0.000214 0.35152
241 1ZP9 ATP 1.784e-05 0.35144
242 4PMT 31Y 1.409e-05 0.35088
243 2WEI VGG 1.816e-06 0.34975
244 1PK8 ATP 0.0006786 0.34967
245 4LRJ ANP 1.353e-05 0.34964
246 4FOC 0UU 7.131e-06 0.34904
247 3TM0 ANP 0.003557 0.34869
248 1XR1 ANP 2.424e-06 0.34861
249 4ORK GDP 2.263e-05 0.34826
250 4GRB 0XG 3.348e-07 0.34823
251 3RE4 TO1 3.431e-05 0.34777
252 3GC0 AMP 1.114e-06 0.34755
253 3QUP LUN 4.258e-05 0.34738
254 1ZY5 ANP 4.013e-06 0.3473
255 4KBA 1QM 5.026e-06 0.34728
256 3UZP 0CK 1.436e-06 0.34692
257 3TXO 07U 6.617e-06 0.34685
258 4TW9 386 1.082e-05 0.34665
259 4CLI 5P8 1.025e-05 0.34616
260 4KNB 1RU 3.505e-05 0.34604
261 4CCU AWF 6.17e-06 0.34458
262 3PTG 932 1.273e-07 0.34452
263 4JX7 1N6 5.592e-06 0.3444
264 3DAK ANP 4.685e-06 0.34364
265 2HK5 1BM 4.081e-05 0.34311
266 4H3P ANP 1.733e-05 0.34305
267 3KN5 ANP 2.557e-06 0.34301
268 3E85 BSU 0.01233 0.34298
269 3UYT 0CK 9.379e-06 0.34287
270 1K3A ACP 1.449e-06 0.34258
271 4CTC J99 1.429e-05 0.3417
272 4PU5 ANP 0.0006435 0.34167
273 4NFN 2KC 4.961e-06 0.34164
274 1Y0G 8PP 0.01482 0.34117
275 3UDZ ADP 0.0003574 0.34106
276 4TWC 37J 3.58e-05 0.34093
277 2WQN ADP 6.494e-06 0.34087
278 3ZBF VGH 1.916e-05 0.34076
279 2PYW ADP 6.985e-05 0.34068
280 4BCQ TJF 7.699e-07 0.34025
281 3CXW 7CP 1.001e-05 0.33984
282 3PDT ADP 0.0002236 0.33939
283 4C58 824 0.006582 0.33906
284 4Q5H ANP 0.000232 0.33783
285 3L5R 47X 0.01686 0.33769