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Receptor
PDB id Resolution Class Description Source Keywords
2vtq 1.9 Å EC: 2.7.11.22 IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6- DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT- BA SED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN HOMO SAPIENS TRANSFERASE MITOSIS CELL CYCLE SERINE/THREONINE PROTEIN K
Ref.: IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE DRUG DESIGN. J.MED.CHEM. V. 51 4986 20
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LZA A:1299;
 Valid;
 none;
 ic50 = 0.14 uM
349.335 C16 H17 F2 N5 O2 c1cc(...
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 (153)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
6 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
7 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
8 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
9 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
10 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
11 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
12 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
13 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
14 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
15 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
16 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
17 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
18 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
19 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
20 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
21 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
22 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
23 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
24 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
25 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
26 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
27 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
28 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
29 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
30 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
31 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
32 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
33 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
34 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
35 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
36 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
37 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
38 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
39 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
40 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
41 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
42 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
43 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
44 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
45 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
46 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
47 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
48 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
49 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
50 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
51 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
52 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
53 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
54 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
55 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
56 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
57 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
58 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
59 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
61 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
62 6GUH Kd = 26 nM FB8 C18 H21 N5 O2 S Cc1ncc(n1C....
63 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
64 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
65 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
66 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
67 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
68 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
69 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
70 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
71 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
72 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
73 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
74 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
75 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
76 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
77 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
78 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
79 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
80 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
81 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
82 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
83 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
84 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
85 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
86 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
87 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
88 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
89 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
90 5MHQ - 8QT C19 H27 N7 O CC[C@@H]([....
91 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
92 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
93 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
94 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
95 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
96 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
97 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
98 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
99 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
100 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
101 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
102 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
103 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
104 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
105 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
106 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
107 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
108 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
109 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
110 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
111 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
112 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
113 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
114 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
115 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
116 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
117 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
118 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
119 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
120 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
121 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
122 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
123 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
124 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
125 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
126 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
127 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
128 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
129 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
130 1H08 - BYP BWP n/a n/a
131 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
132 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
133 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
134 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
135 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
136 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
137 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
138 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
139 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
140 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
141 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
142 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
143 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
144 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
145 6GUK Kd = 725 nM FC8 C19 H24 Cl N7 CCn1cnc2c1....
146 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
147 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
148 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
149 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
150 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
151 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
152 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
153 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
70% Homology Family (156)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
6 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
7 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
8 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
9 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
10 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
11 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
12 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
13 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
14 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
15 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
16 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
17 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
18 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
19 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
20 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
21 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
22 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
23 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
24 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
25 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
26 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
27 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
28 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
29 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
30 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
31 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
32 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
33 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
34 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
35 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
36 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
37 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
38 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
39 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
40 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
41 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
42 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
43 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
44 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
45 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
46 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
47 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
48 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
49 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
50 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
51 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
52 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
53 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
54 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
55 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
56 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
57 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
58 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
59 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
61 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
62 6GUH Kd = 26 nM FB8 C18 H21 N5 O2 S Cc1ncc(n1C....
63 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
64 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
65 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
66 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
67 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
68 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
69 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
70 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
71 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
72 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
73 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
74 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
75 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
76 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
77 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
78 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
79 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
80 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
81 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
82 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
83 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
84 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
85 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
86 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
87 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
88 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
89 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
90 5MHQ - 8QT C19 H27 N7 O CC[C@@H]([....
91 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
92 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
93 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
94 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
95 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
96 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
97 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
98 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
99 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
100 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
101 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
102 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
103 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
104 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
105 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
106 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
107 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
108 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
109 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
110 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
111 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
112 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
113 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
114 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
115 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
116 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
117 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
118 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
119 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
120 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
121 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
122 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
123 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
124 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
125 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
126 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
127 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
128 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
129 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
130 1H08 - BYP BWP n/a n/a
131 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
132 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
133 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
134 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
135 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
136 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
137 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
138 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
139 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
140 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
141 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
142 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
143 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
144 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
145 6GUK Kd = 725 nM FC8 C19 H24 Cl N7 CCn1cnc2c1....
146 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
147 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
148 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
149 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
150 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
151 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
152 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
153 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
154 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
155 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
156 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
50% Homology Family (81)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
6 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
7 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
8 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
9 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
10 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
11 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
12 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
13 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
14 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
15 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
16 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
17 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
18 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
19 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
20 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
21 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
22 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
23 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
24 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
25 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
26 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
27 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
28 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
29 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
30 5ORJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
32 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
33 6EHU - B5E C25 H24 F3 N3 CCc1ccccc1....
34 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
36 5N9K Ki = 0.4 nM 8QK C20 H13 Cl2 N O4 COc1ccc(cc....
37 5OTQ - AUH C25 H27 N3 O CCc1ccccc1....
38 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
39 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
40 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
41 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
43 5MOH - YTX C9 H10 O4 COc1cc(ccc....
44 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
45 5OTL - AQT C25 H26 Cl N3 O CCc1ccccc1....
46 5ORK Kd = 234 uM A4T C13 H11 Cl F N c1ccc(c(c1....
47 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
48 5OS1 ic50 = 1105 uM A7H C10 H11 N O S CCOc1ccc2c....
49 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
50 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
51 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
52 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
53 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
54 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
55 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
56 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
57 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
58 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
59 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
60 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
61 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
62 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
63 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
64 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
65 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
66 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
67 5AUZ ic50 = 98 uM GEN C15 H10 O5 c1cc(ccc1C....
68 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 5L2T - 6ZZ C23 H30 N8 O CN(C)C(=O)....
70 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
71 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
72 3C0H - AMP C10 H14 N5 O7 P c1nc(c2c(n....
73 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
74 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
75 5Y9M - NIO C6 H5 N O2 c1cc(cnc1)....
76 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
77 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
78 5OMY - 9YE C23 H25 N O3 CC(C)n1c2c....
79 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
80 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
81 4JR7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LZA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 LZA 1 1
2 LZD 0.726027 1
3 LZE 0.724638 0.967213
4 LZ9 0.589041 0.783333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XMY; Ligand: CDK; Similar sites found with APoc: 823
This union binding pocket(no: 1) in the query (biounit: 2xmy.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZW2 NAG GAL FUC None
2 5X3R 7Y3 None
3 3ZW0 FUC None
4 3IWD M2T None
5 3ZW2 GLA NAG GAL FUC None
6 1P0Z FLC None
7 3N0Y APC None
8 1M6P M6P None
9 6CZI 38E None
10 1QAW TRP None
11 2Z77 HE7 None
12 1B55 4IP None
13 3GWN FAD None
14 1L6O SER LEU LYS LEU MET THR THR VAL None
15 5IXH OTP None
16 5I35 ANP 1.34228
17 3W54 RNB 1.34228
18 5GM9 CBI 1.40845
19 3PDT ADP 1.45455
20 1ZGS XMM 1.67785
21 5KJW 53C 1.67785
22 5Y72 DST 1.67785
23 2AQX ATP 1.7301
24 4GGZ BTN 1.73913
25 1Y60 H4M 1.77515
26 4CSD MFU 1.83824
27 2AGC MYR 1.85185
28 3KMZ EQO 1.8797
29 5FU3 BGC BGC BGC 1.88679
30 1M3U KPL 1.89394
31 3BF1 ADP 2.00803
32 5ZCT ANP 2.01342
33 3TY5 ATP 2.01342
34 1M0W ANP 2.01342
35 1OFL NGK GCD 2.01342
36 6GW4 CHO 2.01342
37 4UDK BMA 2.01342
38 1ODM ASV 2.01342
39 3KV4 OGA 2.01342
40 4Q9N 0WE 2.01342
41 5MBC FMN 2.01342
42 5Z5I XYP 2.01342
43 4B7H NDP 2.01342
44 4NES UD1 2.01342
45 5G09 6DF 2.01342
46 2WA4 069 2.01342
47 1DMY AZM 2.01613
48 4ZGP ADP 2.04778
49 1TMX BEZ 2.04778
50 4D06 NAR 2.12014
51 5TZO 7V7 2.12766
52 5UMY TNN 2.14286
53 3W21 AKG 2.1978
54 1IS3 LAT 2.22222
55 1KQW RTL 2.23881
56 4DE3 DN8 2.28137
57 1UYY BGC BGC 2.29008
58 3P7N FMN 2.32558
59 6FE1 V14 2.33463
60 5GZ9 ANP 2.34899
61 3AKK ADP 2.34899
62 2IF8 ADP 2.34899
63 2YW2 ATP 2.34899
64 4P25 FUC GAL NAG FUC 2.34899
65 4N14 WR7 2.34899
66 1TV5 N8E 2.34899
67 4XCP PLM 2.34899
68 2EXK XYS XYS 2.34899
69 4ZVI 4S4 2.34899
70 4E90 7RG 2.34899
71 5IM3 DTP 2.34899
72 4DMG SAM 2.34899
73 4GCZ FMN 2.34899
74 1TI7 NAP 2.34899
75 3TPV ADE 2.34899
76 3KAL ADP 2.34899
77 2VUT NAD 2.34899
78 4BJ8 BTN 2.38095
79 3ZJX BOG 2.42215
80 3VKC FPQ 2.44755
81 5FKP 6UL 2.45614
82 5CJF 520 2.50896
83 2IUW AKG 2.52101
84 1NBU PH2 2.52101
85 5T7I LAT NAG GAL 2.58065
86 5TH5 MET 2.6616
87 2JIG PD2 2.67857
88 4ZS4 ATP 2.68456
89 4RDL FUC GAL NDG FUC 2.68456
90 1I7L ATP 2.68456
91 5VZ0 ADP 2.68456
92 3X01 AMP 2.68456
93 1F52 ADP 2.68456
94 3ORQ ADP 2.68456
95 5G48 1FL 2.68456
96 4MZU TYD 2.68456
97 3OV6 MK0 2.68456
98 2WKQ FMN 2.68456
99 3FQ8 PMP 2.68456
100 2YOO K2B 2.68456
101 3C1O NAP 2.68456
102 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
103 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.72374
104 1MJJ HAL 2.73973
105 5UR6 8KM 2.76243
106 2AKO ADP 2.78884
107 1KQR MNA 2.7933
108 2BCG GER 2.91262
109 6E8I PTR 2.95858
110 1OPB RET 2.98507
111 3PN1 IVH 3.02013
112 5MRH Q9Z 3.02013
113 5C1P ADP 3.02013
114 4W9N TCL 3.02013
115 5C3R HMU 3.02013
116 5C3R AKG 3.02013
117 2VPQ ANP 3.02013
118 1JS8 MAN MAN BMA 3.02013
119 3DNT ATP 3.02013
120 2Q09 DI6 3.02013
121 3AVR OGA 3.02013
122 3B99 U51 3.02013
123 4BGB ADP 3.02013
124 6E1Q CFA 3.02013
125 5OLK DTP 3.02013
126 6F6D AKG 3.02013
127 5JM8 ATP 3.02013
128 4UWH JXM 3.02013
129 3NC9 TR3 3.02013
130 5C1P DAL DAL 3.02013
131 3WMX NAD 3.02013
132 2YCH ATP 3.02013
133 3TM0 ANP 3.04183
134 2P3I MNA 3.10559
135 4FE2 AIR 3.13725
136 4FE2 ADP 3.13725
137 4EWN 0VR 3.16206
138 5H9P TD2 3.16456
139 6AYU MLI 3.17003
140 5L9B AKG 3.1746
141 5OX6 A1Z 3.1746
142 1EWJ BLM 3.1746
143 1FX8 BOG 3.20285
144 4JGP PYR 3.22581
145 2WLG SOP 3.25581
146 1QIN GIP 3.27869
147 2DDQ HRB 3.28639
148 3VOT ADP 3.3557
149 2W5P CL8 3.3557
150 5GS9 ARG 3.3557
151 2OS2 OGA 3.3557
152 2Q8E OGA 3.3557
153 5WXU FLC 3.3557
154 5FPE 3TR 3.3557
155 1OBD AMP 3.3557
156 1OBD ATP 3.3557
157 1G51 AMP 3.3557
158 5COU ATP 3.3557
159 3FW9 SLX 3.3557
160 2I6A 5I5 3.3557
161 1YKD CMP 3.3557
162 1TKK ALA GLU 3.3557
163 3WG3 A2G GAL NAG FUC 3.37079
164 2GQS C2R 3.37553
165 2GQS ADP 3.37553
166 2GQR ADP 3.37553
167 2OQ2 A3P 3.44828
168 5I0U DCY 3.5
169 4REF 3N0 3.51562
170 3L0E G58 3.55731
171 1IA9 ANP 3.57143
172 1Y7P RIP 3.58744
173 4WJT NAG 3.59281
174 4OCT AKG 3.6036
175 3NJQ NJQ 3.62694
176 1CKN GTP 3.69128
177 1CKM GTP 3.69128
178 5U7W ADE 3.69128
179 6GVZ CHO 3.69128
180 2VFT SOR 3.69128
181 2YRX AMP 3.69128
182 5B25 4QJ 3.69128
183 6GNO XDI 3.7037
184 2ZMF CMP 3.7037
185 1WW5 SGA BGC 3.75
186 3SAO NKN 3.75
187 3ZXE PGZ 3.7594
188 2D6M LBT 3.77358
189 5FUI APY 3.78788
190 5JBX COA 3.83142
191 1QK3 5GP 3.86266
192 3A6T 8OG 3.87597
193 4YLZ LAT NAG GAL 3.92157
194 4CNG SAH 3.92157
195 3TYZ PAB 3.92857
196 3TYZ XHP 3.92857
197 2ET1 GLV 3.9801
198 4C5N ACP 3.98551
199 4NPL AKG 4
200 2JBH 5GP 4
201 3TDV GDP 4.02685
202 3UDZ ADP 4.02685
203 2IO8 ADP 4.02685
204 6FL8 ADP 4.02685
205 6FL8 TIY 4.02685
206 1KJ8 GAR 4.02685
207 6C1S EFV 4.02685
208 3G1Z AMP 4.02685
209 1EHI ADP 4.02685
210 1ZHX HC3 4.02685
211 1UNB AKG 4.02685
212 1UNB PN1 4.02685
213 1ZB6 GST 4.02685
214 5CX6 CDP 4.02685
215 1ZB6 DIN 4.02685
216 4XDA RIB 4.02685
217 5BU2 ADP 4.02685
218 3MF2 AMP 4.02685
219 4O4F ATP 4.03226
220 1AUA BOG 4.05405
221 1A8R GTP 4.0724
222 4ZSI 4R1 4.09357
223 1Q23 FUA 4.10959
224 2BKK ADP 4.14201
225 1I7E IBS 4.15094
226 4PEG 5GP 4.16667
227 3QDW A2G 4.1958
228 5EPO TUD 4.19847
229 1P4A PCP 4.21053
230 5GLT BGC GAL NAG GAL 4.22535
231 4Z2S NDG 4.22535
232 4Z2S NAG 4.22535
233 4MUV PCG 4.22535
234 1UMZ BGC BGC XYS BGC XYS GAL 4.31655
235 4MLO PAM 4.34783
236 5N8V KZZ 4.34783
237 3VSV XYS 4.36242
238 5FXD H7Y 4.36242
239 5O9W AKG 4.36242
240 4ZCW 4NG 4.36242
241 3V4S ATP 4.36242
242 2HZY DHJ 4.36242
243 2GVJ DGB 4.36242
244 3VSV XYP 4.36242
245 1JQI CAA 4.36242
246 4M1U A2G MBG 4.3771
247 5C5T AKG 4.38596
248 1MID LAP 4.3956
249 1GXU 2HP 4.3956
250 5FPX GLY SER SER HIS HIS HIS HIS HIS 4.42478
251 6F7X MFU 4.44444
252 1YYE 196 4.47761
253 5KWY C3S 4.51128
254 5WRE 7TL 4.51613
255 1VHZ APR 4.54545
256 5BVB DOG 4.54545
257 4H07 IPH 4.54545
258 5J75 6GQ 4.54545
259 3IS2 FAD 4.54545
260 3RGA LSB 4.59364
261 3B1M KRC 4.59364
262 4H6B 10Y 4.61538
263 4H6B 10X 4.61538
264 2HKA C3S 4.61538
265 4V1F BQ1 4.65116
266 5Y02 HBX 4.6729
267 5Y02 MXN 4.6729
268 1U0A BGC BGC BGC BGC 4.6729
269 4OUC 5ID 4.69799
270 6G34 5ID 4.69799
271 3I0O ADP 4.69799
272 5AE9 OKO 4.69799
273 4OCJ NDG 4.69799
274 6EZ6 C5Z 4.69799
275 1TFZ 869 4.69799
276 5OSW DIU 4.69799
277 1JNQ EGT 4.69799
278 2OJW ADP 4.69799
279 5H2D ERG 4.69799
280 5G57 6M5 4.69799
281 2PNC CLU 4.69799
282 2J62 GSZ 4.69799
283 5LY3 ADP 4.69799
284 4JBI NDP 4.69799
285 5F2T PLM 4.69799
286 4EHQ GBL 4.72973
287 4LRJ ANP 4.73373
288 5K2M ADP 4.7619
289 3KYF 5GP 5GP 4.7619
290 3W9R A8S 4.7619
291 5TWO 7MV 4.77941
292 2QUN FUD 4.82759
293 5OO5 UUA 4.83871
294 5BU3 4W9 4.8913
295 1Y2W NAG 4.92958
296 1H9G COA MYR 4.93827
297 1U3R 338 4.97925
298 4XCB AKG 4.98084
299 4XCB HY0 4.98084
300 3G58 988 4.98688
301 5MW8 ATP 5.03356
302 2PYW ADP 5.03356
303 5OES ADP 5.03356
304 4OCV ANP 5.03356
305 5LUN OGA 5.03356
306 5YJS SAL 5.03356
307 3SHZ 5CO 5.03356
308 3BWN PMP 5.03356
309 4HY1 19X 5.03356
310 2IRY DGT 5.03356
311 1VA6 ADP 5.03356
312 6EOF ADP 5.03356
313 3OKP GDD 5.03356
314 1VA6 P2S 5.03356
315 4G2R H1L 5.03356
316 5LUN ARG 5.03356
317 1M2Z BOG 5.05837
318 4J8T DOG 5.10949
319 4O9S 2RY 5.11628
320 6D61 4AA 5.12821
321 2BHW NEX 5.17241
322 5XEG AKG 5.19481
323 4Y24 TD2 5.19481
324 2XG5 EC2 5.20231
325 2XG5 EC5 5.20231
326 1MH5 HAL 5.21739
327 2P7Q GG6 5.26316
328 4QYN RTL 5.26316
329 3LDQ 3P1 5.26316
330 6CAY ERG 5.32544
331 6BU0 IHP 5.34351
332 5DZT AMP 5.36913
333 3HAV ATP 5.36913
334 3WQT ANP 5.36913
335 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 5.36913
336 2V58 LZJ 5.36913
337 4DW4 U5P 5.38922
338 4ZU4 4TG 5.40541
339 2ZL7 FUC GAL NGA 5.42373
340 5Y4R C2E 5.44218
341 4WUJ FMN 5.44218
342 5I8F ML1 5.45455
343 1S17 GNR 5.55556
344 1DKF BMS 5.5794
345 4IPH 1FJ 5.69106
346 1GSA ADP 5.7047
347 1NKI PPF 5.7047
348 1VRP ADP 5.7047
349 3TDC 0EU 5.7047
350 1U6R ADP 5.7047
351 1GP6 DH2 5.7047
352 1GP6 SIN 5.7047
353 1GP6 QUE 5.7047
354 1VRP IOM 5.7047
355 1U6R IOM 5.7047
356 5DXI TRE 5.7047
357 2QXL ATP 5.7047
358 4R38 RBF 5.71429
359 3ACL 3F1 5.74324
360 1QY1 PRZ 5.74713
361 2HFN FMN 5.88235
362 2JL1 NAP 5.92335
363 3OYW TDG 5.97015
364 1SLT NDG GAL 5.97015
365 1W6P NDG GAL 5.97015
366 1W6O LAT 5.97015
367 1GZW GAL BGC 5.97015
368 5XLY C2E 6.01504
369 5HPY GDP 6.03448
370 3TII ANP 6.04027
371 2IZ1 ATR 6.04027
372 5DXT 5H5 6.04027
373 1SQI 869 6.04027
374 1GNI OLA 6.04027
375 5C9J DAO 6.06061
376 5C9J STE 6.06061
377 2PR5 FMN 6.06061
378 4XYM A12 6.08696
379 4EES FMN 6.08696
380 4U0W 16G 6.09756
381 4ONT SIA GAL BGC 6.20155
382 1WBI BTN 6.20155
383 5DKK FMN 6.2069
384 3T50 FMN 6.25
385 1YUC EPH 6.27451
386 3IX9 MTX 6.31579
387 2PX8 MGT 6.3197
388 4G86 BNT 6.33803
389 3JZB 4HY 6.36704
390 5HV7 RBL 6.37584
391 4XZ3 ACP 6.37584
392 1PK8 ATP 6.37584
393 1E4E ADP 6.37584
394 5Y77 KYN 6.37584
395 5FI4 5XV 6.37584
396 6CB2 OLC 6.48464
397 5ODY 9SK 6.52174
398 3WCS MAN NAG GAL 6.69291
399 5TDF ADP 6.71141
400 4RF7 ARG 6.71141
401 4QCK ASD 6.71141
402 3ETH ATP 6.71141
403 2IW3 ADP 6.71141
404 6ASY ATP 6.71141
405 3VPD ANP 6.76157
406 3VPD CIT 6.76157
407 2RDE C2E 6.77291
408 4NSQ COA 6.84211
409 1GQG DCD 6.85714
410 4RFR RHN 6.89655
411 2TPI ILE VAL 6.89655
412 3RET PYR 6.93069
413 1DZK PRZ 7.00637
414 1MFI FHC 7.01754
415 3FAL LO2 7.02479
416 5DMZ ADP 7.04698
417 4AZW ATP 7.04698
418 1T36 ADP 7.04698
419 3VYW SAM 7.04698
420 1EC9 XYH 7.04698
421 3T1A 5MA 7.04698
422 1URX AAL GAL AAL GAL AAL GAL AAL 7.0922
423 3WV6 GAL BGC 7.09459
424 3WV6 GAL GLC 7.09459
425 2QL9 CIT 7.2165
426 4ELG 52J 7.22892
427 2II3 CAO 7.25191
428 4QC6 KAN 7.26257
429 4YGF AZM 7.26496
430 5VLQ ANP 7.38255
431 3WVR AMP 7.38255
432 4QDF 30Q 7.38255
433 5E70 RCD 7.38255
434 5XQL C2E 7.38255
435 2J5V PCA 7.38255
436 2A8Y MTA 7.40741
437 2ZHL NAG GAL GAL NAG 7.43243
438 1IIU RTL 7.47126
439 6FOF LAT 7.65306
440 2Z6D FMN 7.69231
441 5LX9 OLB 7.71812
442 6F5W KG1 7.71812
443 3HQP FDP 7.71812
444 5ULJ 0WD 7.71812
445 3B00 16A 7.72059
446 2Z6C FMN 7.75194
447 1J3R 6PG 7.89474
448 5FQ0 FLC 7.89474
449 2BWA GLC BGC 7.92952
450 1ULE GLA GAL NAG 8
451 4BCS BTN 8
452 1N5S ADL 8.03571
453 6AYI C3G 8.0402
454 1SDW IYT 8.05369
455 3GL0 HXX 8.05369
456 5EJL C2E 8.06452
457 3QP8 HL0 8.15217
458 2PFC PLM 8.19672
459 6GBV FMN 8.21918
460 5BWD FUM 8.33333
461 4O1P ANP 8.38926
462 4D52 GXL 8.38926
463 3G3N TC8 8.38926
464 3W0O HY0 8.38926
465 3W0O ADP 8.38926
466 4D4U FUC NDG GAL FUC 8.38926
467 3JRX S1A 8.38926
468 3STD MQ0 8.48485
469 6ACS CIT 8.52713
470 3MPB FRU 8.53659
471 1QFT HSM 8.57143
472 3E2M E2M 8.64865
473 4JH6 FCN 8.69565
474 4PU5 ANP 8.72483
475 6FXR AKG 8.72483
476 2Q7D ANP 8.72483
477 2AWN ADP 8.72483
478 5OHJ 9VE 8.72483
479 1TZD ADP 8.72727
480 1BHX ASP PHE GLU GLU ILE 8.84354
481 1AUX AGS 9.0604
482 2VQD AP2 9.0604
483 1TT8 PHB 9.14634
484 1OGX EQU 9.16031
485 1N9L FMN 9.17431
486 2YG2 S1P 9.30233
487 2YG2 FLC 9.30233
488 3M3E GAL A2G NPO 9.31677
489 5YK1 ANP 9.39597
490 2XN2 GLA 9.39597
491 3NV3 GAL NAG MAN 9.42029
492 1W2D ADP 9.43396
493 2WPU KYT 9.43396
494 5SVV FMN 9.48905
495 3QRC SCR 9.55414
496 5O1I 9GH 9.58904
497 5XNC N4P 9.73154
498 1Z82 NDP 9.73154
499 4NG2 OHN 9.78261
500 1X0P FAD 9.79021
501 1HGX 5GP 9.83607
502 3VPB ADP 9.92908
503 3VPC ADP 9.92908
504 2YMZ LAT 10
505 4BG4 ARG 10.0671
506 1JQN DCO 10.0671
507 1NWW HPN 10.0671
508 4YSX E23 10.0671
509 4WNB 4BN 10.0775
510 6F5U CQN 10.119
511 6G9I CXX 10.119
512 4RLT FSE 10.1266
513 4ZU5 THM 10.4167
514 5M37 9SZ 10.4348
515 5XJ7 87O 10.4478
516 1ZTH ADP 10.4651
517 1ZP9 ATP 10.4651
518 4Q5H ANP 10.5263
519 3MTX PGT 10.596
520 4IAW LIZ 10.6383
521 1GT4 UNA 10.6918
522 4WOE ADP 10.7383
523 2GJ3 FAD 10.8333
524 3RE4 TO1 10.8527
525 1DBT U5P 10.8787
526 1C1L GAL BGC 10.9489
527 1TQP ATP 10.9929
528 3CV2 OXL 11.0738
529 1XTT U5P 11.1111
530 3FEI CTM 11.236
531 2QK4 ATP 11.4094
532 5B09 4MX 11.5385
533 3ACC 5GP 11.6022
534 3SCH TB6 11.6162
535 4H2X G5A 11.6505
536 4H2W AMP 11.6505
537 4H2W 5GP 11.6505
538 4HBM 0Y7 11.6667
539 3MN9 ATP 11.745
540 4WVW SLT 11.8056
541 2FLI DX5 11.8182
542 2C1Q BTN 11.9048
543 6CGD GNP 12.0805
544 6CGD AKN 12.0805
545 1ZZ7 S0H 12.1212
546 2V0U FMN 12.3288
547 5NCF 8T5 12.3894
548 5DJT FMN 12.4138
549 5DJU FMN 12.4138
550 4B9Q ATP 12.4161
551 4FFG LBS 12.4161
552 4KU7 PCG 12.4183
553 1MEX RAC 12.5581
554 5N7O 69Y 12.6697
555 1Y52 BTN 12.6984
556 5DYO FLU 12.7358
557 5CKW ANP 12.7517
558 6AC9 ANP 12.7517
559 1SQK ADP 12.7517
560 3MN5 ATP 12.7517
561 4EFH ADP 12.7517
562 1KXP ATP 12.7517
563 4PL8 ATP 12.7517
564 4B1V ATP 12.7517
565 2FF3 ATP 12.7517
566 4PKG ATP 12.7517
567 2VL1 GLY GLY 12.7517
568 2V51 ATP 12.7517
569 2FF6 ATP 12.7517
570 5XQW 8EU 12.9032
571 5H5A 6OU 12.9167
572 5IQT AKG 13.0872
573 5KEW 6SB 13.1944
574 1RDS GPC 13.3333
575 4XJ6 GH3 13.4228
576 4W9H 3JF 13.5802
577 5NVX 4YY 13.5802
578 5EO8 TFU 13.7584
579 5W75 SUC 13.7584
580 2CM4 RCL 14
581 5JAX 6J7 14.0741
582 1S9D AFB 14.2857
583 1Y2F WAI 14.3885
584 5C8W PCG 14.6853
585 4JE7 BB2 14.7208
586 4R78 AMP 14.7651
587 3VV1 GAL FUC 15
588 3E85 BSU 15.1899
589 3K0T BGC 15.3846
590 2YFO GAL 15.4362
591 2YFO GLA 15.4362
592 2OFE NAG 15.493
593 2OFD NGA 15.493
594 1XPJ TLA 15.873
595 2BYC FMN 16.0584
596 2GJ5 VD3 16.6667
597 5EY0 GTP 16.7883
598 4WW7 AMP 17.1123
599 2PUL ACP 17.1141
600 2WOR 2AN 18
601 4DFU QUE 18.0124
602 5EFW FMN 18.3333
603 1HTW ADP 18.3544
604 5C4L 4XR 18.3801
605 5C4L SIS 18.3801
606 1NU4 MLA 18.5567
607 4OAV ACP 18.7919
608 2XKO AKG 19.3694
609 5LXT ACP 19.5804
610 5M06 ADP 19.9275
611 4RYV ZEA 20
612 5TBM 79A 20
613 4CYI ATP 20.1342
614 2FUE M1P 20.9924
615 6BFN DL1 22.8188
616 3LQV ADE 23.0769
617 5VC5 96M 23.1834
618 3Q60 ATP 24.1611
619 4WOV 3SM 24.4966
620 4BTK DTQ 24.4966
621 4NFN 2KC 25.5034
622 5OKT 9XK 25.5034
623 4KBA 1QM 25.5034
624 5W4W 9WG 25.5034
625 3W68 4PT 25.5639
626 5KO1 6UY 25.7951
627 3VHE 42Q 26.1745
628 5C03 AGS 26.5101
629 6GZD LCI 27.1812
630 4XH0 ADP 28.8591
631 2CSN