Receptor
PDB id Resolution Class Description Source Keywords
2f3u 1.93 Å EC: 2.4.1.1 CRYSTAL STRUCTURE OF THE GLYCOGEN PHOSPHORYLASE B / N-(BETA- GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE COMPLEX ORYCTOLAGUS CUNICULUS GLYCOGENOLYSIS TYPE 2 DIABETES TRANSFERASE
Ref.: BINDING OF OXALYL DERIVATIVES OF BETA-D-GLUCOPYRANO TO MUSCLE GLYCOGEN PHOSPHORYLASE B. BIOORG.MED.CHEM. V. 14 3872 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8GP A:998;
Valid;
none;
Ki = 1.41 mM
290.27 C11 H18 N2 O7 C1CC1...
PLP A:999;
Invalid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AMV 2.3 Å EC: 2.4.1.1 THE STRUCTURE OF GLYCOGEN PHOSPHORYLASE B WITH AN ALKYL- DIHYDROPYRIDINE-DICARBOXYLIC ACID ORYCTOLAGUS CUNICULUS GLYCOGEN PHOSPHORYLASE GLYCOGEN METABOLISM DIABETES INHIBGLYCOSYLTRANSFERASE TRANSFERASE
Ref.: THE STRUCTURE OF GLYCOGEN PHOSPHORYLASE B WITH AN ALKYLDIHYDROPYRIDINE-DICARBOXYLIC ACID COMPOUND, A POTENT INHIBITOR. STRUCTURE V. 5 1413 1997
Members (144)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3MRT ic50 = 200 uM 12E C13 H18 N4 O5 S c1cnccc1/C....
2 1AXR Ki = 540 uM HTP C7 H12 N3 O4 c1c2[n+]([....
3 1FTY - GL7 C9 H14 N2 O7 CN1C(=O)[C....
4 3MQF ic50 = 5.7 uM 20X C14 H18 F N3 O5 S c1cc(ccc1/....
5 3MS7 ic50 = 370 uM 22S C14 H18 Cl N3 O5 S c1ccc(c(c1....
6 4EKY Ki = 303 uM D1J C15 H20 N2 O7 CCCC#CC1=C....
7 1C50 ic50 = 334 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
8 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
9 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
10 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
11 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
12 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
13 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
14 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
15 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
16 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
17 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
18 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
19 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
20 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
21 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
22 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
23 2GPA - GLC C6 H12 O6 C([C@@H]1[....
24 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
25 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
26 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
27 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
28 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
29 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
30 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
31 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
32 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
33 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
34 1P2B - GLC GLC GLC GLC GLC n/a n/a
35 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
36 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
37 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
38 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
39 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
40 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
41 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
42 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
43 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
44 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
45 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
46 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
47 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
48 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
49 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
50 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
51 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
52 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
53 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
54 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
55 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
56 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
57 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
58 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
59 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
60 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
61 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
62 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
63 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
64 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
65 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
66 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
67 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
68 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
69 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
70 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
71 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
72 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
73 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
74 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
75 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
76 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
77 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
78 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
79 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
80 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
81 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
82 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
83 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
84 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
85 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
86 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
87 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
88 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
89 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
90 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
91 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
92 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
93 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
94 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
95 1LWN - GLC C6 H12 O6 C([C@@H]1[....
96 1P29 - GLC GLC GLC GLC GLC n/a n/a
97 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
98 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
99 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
100 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
101 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
102 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
103 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
104 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
105 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
106 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
107 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
108 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
109 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
110 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
111 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
112 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
113 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
114 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
115 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
116 2SKC - GLC C6 H12 O6 C([C@@H]1[....
117 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
118 1LWO - GLC C6 H12 O6 C([C@@H]1[....
119 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
120 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
121 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
122 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
123 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
124 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
125 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
126 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
127 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
128 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
129 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
130 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
131 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
132 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
133 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
134 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
135 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
136 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
137 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
138 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
139 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
140 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
141 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
142 1P2D - GLC GLC n/a n/a
143 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
144 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
70% Homology Family (158)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3MRT ic50 = 200 uM 12E C13 H18 N4 O5 S c1cnccc1/C....
2 1AXR Ki = 540 uM HTP C7 H12 N3 O4 c1c2[n+]([....
3 1FTY - GL7 C9 H14 N2 O7 CN1C(=O)[C....
4 3MQF ic50 = 5.7 uM 20X C14 H18 F N3 O5 S c1cc(ccc1/....
5 3MS7 ic50 = 370 uM 22S C14 H18 Cl N3 O5 S c1ccc(c(c1....
6 4EKY Ki = 303 uM D1J C15 H20 N2 O7 CCCC#CC1=C....
7 1C50 ic50 = 334 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
8 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
9 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
10 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
11 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
12 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
13 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
14 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
15 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
16 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
17 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
18 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
19 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
20 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
21 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
22 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
23 2GPA - GLC C6 H12 O6 C([C@@H]1[....
24 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
25 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
26 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
27 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
28 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
29 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
30 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
31 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
32 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
33 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
34 1P2B - GLC GLC GLC GLC GLC n/a n/a
35 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
36 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
37 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
38 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
39 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
40 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
41 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
42 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
43 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
44 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
45 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
46 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
47 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
48 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
49 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
50 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
51 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
52 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
53 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
54 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
55 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
56 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
57 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
58 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
59 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
60 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
61 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
62 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
63 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
64 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
65 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
66 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
67 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
68 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
69 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
70 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
71 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
72 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
73 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
74 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
75 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
76 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
77 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
78 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
79 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
80 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
81 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
82 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
83 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
84 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
85 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
86 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
87 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
88 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
89 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
90 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
91 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
92 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
93 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
94 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
95 1LWN - GLC C6 H12 O6 C([C@@H]1[....
96 1P29 - GLC GLC GLC GLC GLC n/a n/a
97 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
98 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
99 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
100 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
101 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
102 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
103 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
104 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
105 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
106 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
107 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
108 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
109 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
110 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
111 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
112 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
113 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
114 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
115 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
116 2SKC - GLC C6 H12 O6 C([C@@H]1[....
117 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
118 1LWO - GLC C6 H12 O6 C([C@@H]1[....
119 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
120 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
121 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
122 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
123 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
124 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
125 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
126 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
127 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
128 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
129 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
130 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
131 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
132 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
133 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
134 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
135 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
136 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
137 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
138 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
139 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
140 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
141 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
142 1P2D - GLC GLC n/a n/a
143 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
144 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
145 1L5R ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
146 1EM6 ic50 = 6 nM CP4 C24 H24 Cl2 N4 O4 c1cc2c(cc1....
147 1L5Q ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
148 1EXV ic50 = 45 nM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
149 1L7X ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
150 3DDS ic50 = 506 nM 26B C29 H35 N3 O5 Cc1cc(c(c(....
151 1FC0 - NBG C8 H15 N O6 CC(=O)N[C@....
152 3CEM Kd = 24 nM AVD C23 H12 Cl2 F2 N2 O5 c1ccc(c(c1....
153 2ATI ic50 = 23 nM IHU C15 H12 Cl F N2 O4 COc1ccc(cc....
154 1L5S ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
155 1FA9 - GLC C6 H12 O6 C([C@@H]1[....
156 1XOI ic50 = 0.057 uM 288 C18 H24 Cl N3 O3 c1cc2c(cc1....
157 3DDW ic50 = 1067 nM 055 C27 H22 Cl N3 O4 Cc1cccc(c1....
158 2ZB2 ic50 = 0.9 uM A46 C17 H15 Cl N2 O3 c1cc(ccc1[....
50% Homology Family (165)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3MRT ic50 = 200 uM 12E C13 H18 N4 O5 S c1cnccc1/C....
2 1AXR Ki = 540 uM HTP C7 H12 N3 O4 c1c2[n+]([....
3 1FTY - GL7 C9 H14 N2 O7 CN1C(=O)[C....
4 3MQF ic50 = 5.7 uM 20X C14 H18 F N3 O5 S c1cc(ccc1/....
5 3MS7 ic50 = 370 uM 22S C14 H18 Cl N3 O5 S c1ccc(c(c1....
6 4EKY Ki = 303 uM D1J C15 H20 N2 O7 CCCC#CC1=C....
7 1C50 ic50 = 334 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
8 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
9 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
10 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
11 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
12 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
13 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
14 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
15 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
16 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
17 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
18 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
19 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
20 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
21 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
22 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
23 2GPA - GLC C6 H12 O6 C([C@@H]1[....
24 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
25 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
26 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
27 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
28 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
29 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
30 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
31 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
32 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
33 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
34 1P2B - GLC GLC GLC GLC GLC n/a n/a
35 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
36 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
37 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
38 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
39 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
40 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
41 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
42 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
43 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
44 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
45 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
46 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
47 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
48 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
49 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
50 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
51 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
52 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
53 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
54 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
55 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
56 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
57 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
58 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
59 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
60 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
61 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
62 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
63 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
64 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
65 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
66 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
67 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
68 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
69 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
70 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
71 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
72 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
73 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
74 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
75 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
76 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
77 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
78 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
79 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
80 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
81 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
82 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
83 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
84 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
85 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
86 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
87 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
88 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
89 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
90 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
91 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
92 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
93 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
94 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
95 1LWN - GLC C6 H12 O6 C([C@@H]1[....
96 1P29 - GLC GLC GLC GLC GLC n/a n/a
97 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
98 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
99 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
100 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
101 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
102 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
103 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
104 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
105 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
106 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
107 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
108 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
109 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
110 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
111 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
112 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
113 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
114 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
115 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
116 2SKC - GLC C6 H12 O6 C([C@@H]1[....
117 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
118 1LWO - GLC C6 H12 O6 C([C@@H]1[....
119 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
120 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
121 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
122 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
123 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
124 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
125 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
126 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
127 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
128 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
129 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
130 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
131 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
132 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
133 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
134 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
135 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
136 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
137 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
138 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
139 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
140 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
141 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
142 1P2D - GLC GLC n/a n/a
143 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
144 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
145 2AV6 - BGC GLC GLC GLC GLC n/a n/a
146 1L6I - GLC GLC GLC GLC GLC n/a n/a
147 1L5W - GLC GLC GLC GLC n/a n/a
148 2AW3 - BGC GLC GLC GLC GLC n/a n/a
149 1QM5 Ki = 1.5 uM GLC GLC GLC PO4 SGC GLC n/a n/a
150 1L5V - G1P C6 H13 O9 P C([C@@H]1[....
151 2AZD - BGC GLC GLC GLC n/a n/a
152 1L5R ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
153 1EM6 ic50 = 6 nM CP4 C24 H24 Cl2 N4 O4 c1cc2c(cc1....
154 1L5Q ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
155 1EXV ic50 = 45 nM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
156 1L7X ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
157 3DDS ic50 = 506 nM 26B C29 H35 N3 O5 Cc1cc(c(c(....
158 1FC0 - NBG C8 H15 N O6 CC(=O)N[C@....
159 3CEM Kd = 24 nM AVD C23 H12 Cl2 F2 N2 O5 c1ccc(c(c1....
160 2ATI ic50 = 23 nM IHU C15 H12 Cl F N2 O4 COc1ccc(cc....
161 1L5S ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
162 1FA9 - GLC C6 H12 O6 C([C@@H]1[....
163 1XOI ic50 = 0.057 uM 288 C18 H24 Cl N3 O3 c1cc2c(cc1....
164 3DDW ic50 = 1067 nM 055 C27 H22 Cl N3 O4 Cc1cccc(c1....
165 2ZB2 ic50 = 0.9 uM A46 C17 H15 Cl N2 O3 c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8GP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 8GP 1 1
2 4GP 0.632653 0.854167
3 6GP 0.607843 0.803922
4 NBG 0.571429 0.8125
5 7GP 0.563636 0.803922
6 9GP 0.54902 0.87234
7 CR1 0.538462 0.722222
8 NTF 0.518519 0.769231
9 AZC 0.509091 0.792453
10 DL6 0.459016 0.754386
11 OAK 0.451613 0.816327
12 26R 0.414286 0.754717
13 BZD 0.411765 0.777778
14 233 0.4 0.758621
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found: 410
This union binding pocket(no: 1) in the query (biounit: 2amv.bio1) has 71 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2O2C G6Q 0.02054 0.40181 1.14192
2 3NKS ACJ 0.001822 0.4445 1.25786
3 2JC9 ADN 0.02758 0.4146 1.26126
4 4AMV F6R 0.01512 0.40723 1.47783
5 4J7H TRH 0.005452 0.41456 1.4862
6 2F2U M77 0.03547 0.40186 1.49254
7 3ANK NG6 GCD 0.01564 0.41761 1.50754
8 8CAT NDP 0.008673 0.4039 1.58103
9 3DG6 MUC 0.02149 0.40431 1.63488
10 1T10 F6P 0.01815 0.42776 1.65289
11 3E9K 3XH 0.04642 0.40016 1.72043
12 4IHQ ADP 0.005168 0.44348 1.75439
13 3LTW HLZ 0.01253 0.44077 1.78571
14 2Z9V PXM 0.01038 0.43445 1.78571
15 1RYD GLC 0.002708 0.47368 1.80879
16 1E2S CSN 0.005181 0.43008 1.84049
17 3QO8 SSA 0.0148 0.40761 1.85567
18 1Z45 UPG 0.009685 0.40831 1.8598
19 3UST FAD 0.01284 0.41013 1.87266
20 4HZO COA 0.0155 0.42633 1.88679
21 2HEK GDP 0.02278 0.4104 1.88679
22 1TFZ 869 0.01231 0.40121 1.88679
23 3JQ3 ADP 0.01143 0.42361 1.91257
24 1DL2 NAG NAG BMA 0.02554 0.40723 1.95695
25 2P69 PLP 0.01141 0.43747 1.96078
26 1KTC NGA 0.02101 0.42014 1.97531
27 3DER ALA LYS 0.008292 0.40167 2.02899
28 1M1B SPV 0.01406 0.43309 2.0339
29 3T1A 5MA 0.01533 0.40058 2.13144
30 4PNI KQQ 0.003235 0.41021 2.13904
31 2PNC CLU 0.04093 0.42205 2.14477
32 2ZWS PLM 0.0007674 0.54881 2.16718
33 1WDA BAG 0.01554 0.42186 2.23881
34 3ULK NDP 0.005654 0.40766 2.24033
35 3MD0 GDP 0.02143 0.41552 2.25352
36 1I36 NAP 0.007311 0.40364 2.27273
37 4B4D FAD 0.006084 0.40958 2.29008
38 5AZ8 MAL 0.005404 0.45027 2.29885
39 1HK8 DGT 0.01707 0.40185 2.31405
40 3L24 GOA 0.01416 0.45673 2.32108
41 4B9E FAH 0.01977 0.43631 2.32558
42 4ME6 ADP 0.02405 0.42185 2.33161
43 4QEK GLC 0.04095 0.4172 2.3753
44 1I0Z OXM 0.0184 0.45045 2.4024
45 2Q09 DI6 0.004943 0.44435 2.40385
46 1MOQ GLP 0.01061 0.40677 2.44565
47 2NVK NAP 0.01474 0.42734 2.45902
48 4USS GSH 0.04354 0.40525 2.46154
49 4O8A 2OP 0.01148 0.46176 2.47453
50 2QF7 COA 0.01757 0.40798 2.49406
51 3A1I UNU 0.0209 0.41206 2.4952
52 1KYQ NAD 0.01404 0.40206 2.55474
53 2VAR KDF 0.01645 0.4128 2.55591
54 2VAR KDG 0.01945 0.40967 2.55591
55 3U1T MLI 0.00439 0.46981 2.589
56 1I7L ATP 0.002126 0.41965 2.589
57 3KYF 5GP 5GP 0.02613 0.40776 2.5974
58 1H16 PYR 0.01119 0.45535 2.63505
59 1H16 DTL 0.02086 0.44742 2.63505
60 1VE3 SAM 0.005361 0.41823 2.64317
61 4M5P MLA 0.0126 0.46727 2.7027
62 4M5P FMN 0.004421 0.41468 2.7027
63 2OKL BB2 0.03472 0.40411 2.7027
64 3SIX GDP 0.007143 0.42831 2.72727
65 2Z9I GLY ALA THR VAL 0.04235 0.41556 2.73159
66 3O2K QRP 0.01292 0.42127 2.74262
67 2JFV FLC 0.04047 0.41535 2.74914
68 2VDF OCT 0.01236 0.41106 2.7668
69 2BO4 FLC 0.01244 0.44664 2.77078
70 4CCO OGA 0.04382 0.40512 2.78373
71 4W6Z ETF 0.008196 0.46985 2.88184
72 1A99 PUT 0.0423 0.42182 2.90698
73 1Q11 TYE 0.0327 0.41112 2.95699
74 1OIK AKG 0.02902 0.4226 2.99003
75 2Y6P CTP 0.0115 0.4235 2.99145
76 3E81 SLB 0.04479 0.40874 3.04878
77 1OGD RIP 0.002443 0.46363 3.05344
78 3HB5 E2B 0.001683 0.41998 3.0581
79 3GWT 066 0.001902 0.4012 3.11615
80 2HFK E4H 0.005954 0.44567 3.1348
81 3DGB MUC 0.02916 0.40209 3.14136
82 4HA6 PXM 0.008423 0.44378 3.14961
83 2HXT EHM 0.01769 0.40785 3.1746
84 1QR0 COA 0.02213 0.41095 3.20665
85 1GPJ CIT 0.02313 0.42752 3.21782
86 2GSD NAD 0.0006088 0.40548 3.23383
87 4COQ SAN 0.001539 0.4858 3.23887
88 1SQ5 PAU 0.02477 0.41679 3.24675
89 1SQ5 ADP 0.01808 0.41103 3.24675
90 3MAG 3MA 0.02321 0.45198 3.25733
91 1Y1A GSH 0.01213 0.47477 3.27869
92 1ZUW DGL 0.01156 0.42769 3.30882
93 2HW1 FRU 0.04644 0.40797 3.3557
94 3MCT 3MC 0.008228 0.43914 3.367
95 1JN2 SFP 0.02102 0.48151 3.37553
96 2XNJ FAD 0.02901 0.41357 3.38346
97 3ZRR PXG 0.002673 0.42622 3.38542
98 3ZUY TCH 0.01694 0.41608 3.40557
99 4LHM AZZ 0.01128 0.43769 3.40909
100 1YFZ IMP 0.02804 0.41863 3.41463
101 1X8X TYR 0.003184 0.44798 3.41615
102 2XUM OGA 0.01834 0.43255 3.4384
103 4JWX 1N4 0.0268 0.41519 3.44418
104 1A27 EST 0.01133 0.41233 3.46021
105 2ZJ5 ADP 0.02165 0.42406 3.47222
106 2VQ5 HBA 0.001897 0.48842 3.48259
107 2V5K OXM 0.01683 0.44403 3.48432
108 3QDT A2G GAL 0.006083 0.46941 3.4965
109 3QDW NDG 0.004612 0.46871 3.4965
110 3QDW A2G 0.02546 0.44262 3.4965
111 3QDY A2G GAL 0.02204 0.43968 3.4965
112 3QDY CBS 0.03776 0.42177 3.4965
113 2H6T IVA VAL VAL STA ALA STA 0.008484 0.4139 3.52941
114 2ZSC BTN 0.004525 0.43253 3.5461
115 1B55 4IP 0.01451 0.41145 3.5503
116 1Y42 TYR 0.03195 0.4116 3.57143
117 3UDG TMP 0.004971 0.4818 3.65448
118 1B5E DCM 0.03602 0.40523 3.65854
119 1C3V PDC 0.01629 0.43002 3.67347
120 2YFT DQR 0.007927 0.41864 3.67776
121 2Y0I AKG 0.007438 0.44637 3.69318
122 2O66 FLC 0.01367 0.43368 3.7037
123 1AUA BOG 0.002397 0.46401 3.71622
124 1I2L DCS 0.008271 0.40774 3.71747
125 3P3N AKG 0.01873 0.43208 3.72493
126 4B7E OGA 0.03334 0.41498 3.72493
127 1R6W 164 0.01756 0.40459 3.72671
128 3P7I P7I 0.01226 0.43107 3.73832
129 1PFK ADP 0.0007518 0.46006 3.75
130 1PFK FBP 0.02971 0.40528 3.75
131 2Q1A 2KT 0.00629 0.45559 3.75427
132 4B16 NAG 0.01573 0.46173 3.7594
133 3QV9 QV7 0.001712 0.47691 3.80762
134 4DN8 BMA 0.009204 0.44741 3.84615
135 1CBF SAH 0.007593 0.41939 3.85965
136 3E5H GNP 0.0006953 0.43318 3.93258
137 1Z4V DAN 0.003504 0.44151 3.94737
138 4CIB 7UZ 0.01483 0.43199 3.95604
139 1YOE RIB 0.00083 0.47926 4.03727
140 2BZ1 TAU 0.004218 0.50455 4.08163
141 2FR6 CTN 0.01082 0.40644 4.10959
142 2FR6 URI 0.01321 0.40309 4.10959
143 4WVH ASP HIS ASP ALA HIS ALA 0.002691 0.45625 4.15677
144 3IHB TRS 0.0006296 0.53935 4.16667
145 3IHB GLU 0.0155 0.44266 4.16667
146 4WX0 HXD 0.01447 0.40801 4.18251
147 4PTZ FMN 0.01305 0.40649 4.18848
148 3OCZ SRA 0.004281 0.42565 4.19847
149 4AQL TXC 0.003487 0.42917 4.20168
150 4E13 NAD 0.006025 0.40973 4.24028
151 2G30 ALA ALA PHE 0.004124 0.40764 4.26357
152 4FFG LBS 0.02083 0.4054 4.26829
153 3I8T LBT 0.04668 0.40381 4.26829
154 1KC7 PPR 0.02181 0.4341 4.27553
155 1EYE PMM 0.02172 0.40761 4.28571
156 5CSM TRP 0.003873 0.45434 4.29688
157 1G8S MET 0.01803 0.43291 4.34783
158 1J78 OLA 0.03702 0.4132 4.36681
159 4RJK PYR 0.0004748 0.528 4.37828
160 3V1V GST 0.000626 0.45861 4.38799
161 2CE7 ADP 0.00117 0.45692 4.41176
162 1RZM PEP 0.008762 0.43787 4.43787
163 1RZM E4P 0.0208 0.43516 4.43787
164 2JBH 5GP 0.005283 0.44305 4.44444
165 4LKK SIA GAL 0.01001 0.40774 4.4586
166 2D2I NAP 0.004553 0.40511 4.47368
167 4KGM ATP 0.0125 0.41791 4.4898
168 5A2J ALA PRO ASP THR ARG PRO 0.03308 0.43318 4.5082
169 3AYS CT3 0.0186 0.41428 4.52128
170 3PNA CMP 0.003481 0.45122 4.54545
171 2QCX PF1 0.006266 0.44994 4.56274
172 2YIV YIV 0.04898 0.42104 4.57317
173 2YIV NBN 0.04263 0.41902 4.57317
174 1Q3P GLU ALA GLN THR ARG LEU 0.006232 0.42288 4.58716
175 3TKA CTN 0.00197 0.54441 4.61095
176 2UZ2 BTN 0.003825 0.43147 4.61538
177 1UF5 CDT 0.03099 0.40447 4.62046
178 3EE4 MYR 0.002861 0.42164 4.64396
179 1VQ2 DDN 0.003005 0.43172 4.66321
180 1B74 DGN 0.008973 0.46045 4.72441
181 3WCS MAN NAG 0.007988 0.43974 4.72441
182 3WCS MAN NAG GAL 0.007922 0.43061 4.72441
183 4K7O EKZ 0.006445 0.46128 4.7619
184 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.0432 0.41183 4.7619
185 4LN7 1ZQ 0.008277 0.41432 4.78469
186 1UNQ 4IP 0.04077 0.42291 4.8
187 2C5S AMP 0.02451 0.41287 4.84262
188 3ZF8 GDP 0.0007282 0.47603 4.91803
189 4JEJ 1GP 0.01855 0.41056 4.91803
190 3I8P 840 0.01899 0.4032 4.91803
191 2OHV NHL 0.00457 0.44588 4.92424
192 2W8Q SIN 0.03769 0.42181 4.92813
193 4I90 CHT 0.01789 0.44164 4.9505
194 3KO0 TFP 0.04425 0.42228 4.9505
195 2GJ3 FAD 0.001611 0.42728 5
196 3B20 NAD 0.003247 0.40725 5.01475
197 2PP3 LGT 0.02656 0.40045 5.02513
198 2BVE PH5 0.02095 0.41978 5.04202
199 4JRB PGT 0.006901 0.42895 5.04808
200 1HQL GLA MBG 0.02357 0.43237 5.05837
201 3A2Y TS5 0.0004406 0.46462 5.07614
202 2OWZ CIT 0.01498 0.43691 5.12048
203 2Q8M AMP 0.007057 0.42854 5.12048
204 4M51 BEZ 0.00833 0.46217 5.15223
205 1WRA PC 0.006712 0.46037 5.19481
206 1P9B HDA 0.001754 0.47641 5.20362
207 4DS8 A8S 0.04139 0.40616 5.26316
208 1Z44 NPO 0.02265 0.46071 5.32544
209 1Z42 HBA 0.03299 0.45126 5.32544
210 3RKR NAP 0.02691 0.40719 5.34351
211 3D2Y AH0 ALA FGA LYS 0.00299 0.42801 5.36398
212 1Y7P RIP 0.006957 0.45343 5.38117
213 1EYQ NAR 0.003442 0.45144 5.40541
214 1DXY COI 0.03516 0.43481 5.40541
215 1LL2 UPG 0.008934 0.40342 5.40541
216 2ALG HP6 0.0042 0.4155 5.43478
217 2ALG DAO 0.0042 0.4155 5.43478
218 1NXJ TLA 0.007207 0.41849 5.46448
219 1GEG GLC 0.0004846 0.46289 5.46875
220 3UEC ALA ARG TPO LYS 0.004608 0.46873 5.47945
221 3T4L ZEA 0.01965 0.41634 5.55556
222 4C2G ALA ALA ALA ALA 0.01909 0.4178 5.60538
223 4K30 NLG 0.01235 0.43092 5.625
224 2VDJ HSE 0.01047 0.45689 5.64784
225 2Q8H TF4 0.007502 0.47196 5.65111
226 1GJW GLC 0.01004 0.45141 5.65149
227 1GJW MAL 0.03592 0.40161 5.65149
228 1P1M MET 0.002573 0.41996 5.66502
229 1UPR 4IP 0.01918 0.44567 5.69106
230 4CCN OGA 0.01226 0.44124 5.71429
231 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.03567 0.41621 5.71429
232 1Y9Q MED 0.03033 0.42164 5.72917
233 4WBD ADP 0.01068 0.45005 5.73013
234 4WBD CIT 0.03452 0.42924 5.73013
235 3HF3 FMN 0.008218 0.40181 5.73066
236 3T2W BTN 0.01005 0.42608 5.7377
237 1CKM GTP 0.0103 0.40413 5.75758
238 1CKN GTP 0.03974 0.40327 5.75758
239 1JGS SAL 0.008755 0.48555 5.7971
240 3NOJ PYR 0.008654 0.44062 5.88235
241 1WHT BZS 0.04376 0.41364 5.88235
242 1JZN BGC GAL 0.04568 0.41925 5.92593
243 2VWA PTY 0.005615 0.47994 5.94059
244 4A6D SAM 0.008003 0.40828 5.94901
245 1A5Z FBP 0.04623 0.41791 5.95611
246 1MZV AMP 0.01822 0.41469 5.95745
247 3ZS7 ATP 0.006647 0.40513 6
248 9LDB OXM 0.0207 0.45486 6.0241
249 9LDT OXM 0.02455 0.45057 6.0241
250 3RF4 FUN 0.002464 0.46346 6.03448
251 4FGC PQ0 0.006764 0.44835 6.06061
252 3SQG COM 0.001176 0.52628 6.09319
253 2P8O BVA 0.00893 0.41302 6.10687
254 3NFZ 3NF 0.003038 0.44416 6.11621
255 1QO0 BMD 0.03611 0.41784 6.12245
256 4LXH C1E 0.006116 0.41952 6.13718
257 4EXO PYR 0.003874 0.47979 6.16438
258 2ZE3 AKG 0.01988 0.42585 6.18182
259 1NU4 MLA 0.02606 0.44907 6.18557
260 1S8F GDP 0.002542 0.44293 6.21469
261 2GWD GLU 0.02117 0.41576 6.23608
262 3R51 MMA 0.04355 0.42961 6.25
263 1AX2 NDG GAL 0.02724 0.41486 6.27615
264 1DBT U5P 0.01523 0.4007 6.27615
265 1H8G CHT 0.01972 0.46433 6.31579
266 2EB5 OXL 0.005611 0.45805 6.36704
267 1H8P PC 0.01826 0.45063 6.42202
268 2NCD ADP 0.02565 0.4205 6.42857
269 1AUX AGS 0.0117 0.40836 6.43087
270 2J5S KTA 0.01152 0.40539 6.46388
271 4PPU TYR 0.006411 0.44418 6.47482
272 1FW1 GSH 0.01869 0.40685 6.48148
273 3TFC PEP 0.01085 0.43355 6.49351
274 3AQT RCO 0.02248 0.43725 6.53061
275 3W9F I3P 0.0249 0.41564 6.53846
276 1YHM AHD 0.001185 0.48454 6.62983
277 1U3I GSH 0.001632 0.4779 6.63507
278 3DX5 DHB 0.01514 0.41823 6.64336
279 4A6F SEP 0.01054 0.47173 6.66667
280 3ZGE ASP 0.006494 0.4679 6.7696
281 3ZPG 5GP 0.004374 0.48486 6.80628
282 4N7C AEF 0.03237 0.42524 6.81818
283 1EB9 HBA 0.03135 0.40073 6.87023
284 3CBG 4FE 0.009669 0.47389 6.89655
285 3CBG FER 0.01348 0.45791 6.89655
286 3CBG SAH 0.01012 0.41086 6.89655
287 1YOA FMN 0.002819 0.51503 6.91824
288 5RHN 8BR 0.004945 0.42695 6.95652
289 2F59 INI 0.002734 0.42951 7.00637
290 4NC7 I3C 0.02516 0.4309 7.07071
291 4NPT 017 0.02679 0.40728 7.07071
292 2BOI MFU 0.003538 0.45617 7.07965
293 1SS4 GSH 0.0001199 0.60977 7.18954
294 1SS4 CIT 0.006499 0.45887 7.18954
295 3PXP MYR 0.00734 0.41639 7.19178
296 4U9W COA 0.01399 0.40529 7.24638
297 3W8S GSH 0.03771 0.41238 7.28155
298 1DL7 NCH 0.0037 0.50796 7.33945
299 2Q3M MLA 0.009878 0.46538 7.36196
300 1FP2 HMO 0.007192 0.42035 7.38636
301 1LNX URI 0.02453 0.41699 7.40741
302 4KCT FDP 0.01858 0.41052 7.41483
303 4KCT PYR 0.02979 0.409 7.41483
304 2W3L DRO 0.04028 0.43151 7.63889
305 3IB9 BTN 0.0343 0.42659 7.73585
306 1Y2W NAG 0.01078 0.44401 7.74648
307 1QH9 LAC 0.03022 0.42172 7.75862
308 3VD8 MTT 0.03845 0.40392 7.77096
309 2WCV FUC 0.0267 0.41117 7.85714
310 2YLD CMO 0.001786 0.48261 7.87402
311 1XE7 GUN 0.008636 0.46859 7.88177
312 1UCN ADP 0.02682 0.40027 7.89474
313 2V5E SCR 0.003146 0.47309 7.92079
314 3KJQ B94 0.005036 0.43479 7.92683
315 3LM9 ADP 0.02098 0.40826 7.94702
316 2JAR UMP 0.00421 0.42228 8
317 3UIE ANP 0.02154 0.41148 8
318 3UIE ADX 0.01553 0.41021 8
319 3K3K A8S 0.003131 0.42364 8.05687
320 3PMA SCR 0.03423 0.41019 8.10811
321 3GJB AKG 0.03202 0.40757 8.15047
322 1A5V Y3 0.01628 0.43003 8.22785
323 4EPL JAI 0.007284 0.42013 8.26162
324 3SHR CMP 0.006073 0.43568 8.3612
325 3CEV ARG 0.01604 0.42123 8.3612
326 3BY8 MLT 0.01764 0.43885 8.4507
327 2YD6 FLC 0.001075 0.5438 8.49057
328 4F2Q QUS 0.02183 0.40403 8.52713
329 1ZJ6 G3D 0.004167 0.4383 8.55615
330 3GM5 CIT 0.008889 0.44816 8.80503
331 3RHZ UDP 0.005043 0.41925 8.84956
332 1EJE FMN 0.005037 0.41927 8.85417
333 2A2X NA9 0.008041 0.41143 8.88031
334 1N9L FMN 0.01119 0.40587 9.17431
335 2EJU SAH 0.004143 0.42255 9.25926
336 3S9K CIT 0.009474 0.49007 9.32203
337 1WGC SIA GAL BGC 0.01633 0.46079 9.35672
338 1QD0 RR6 0.009806 0.42243 9.375
339 4G28 0W8 0.02473 0.41269 9.39597
340 4P9Z NMI PTR 02K ASN NH2 0.001634 0.47174 9.40171
341 2DWU DGL 0.03972 0.40328 9.42029
342 1XX4 BAM 0.0009019 0.52253 9.57854
343 4JP3 CIT 0.003805 0.43999 9.62343
344 4F8L GAL 0.04922 0.44021 9.65517
345 1HFA PIO 0.003858 0.50698 9.68858
346 4R3L COA 0.01485 0.40589 9.82659
347 2OFE NAG 0.0142 0.43807 9.85915
348 2OFD NGA 0.01682 0.43441 9.85915
349 1P72 THM 0.03891 0.40756 9.88024
350 2Y7G AAE 0.01434 0.40818 9.92908
351 1W7J ADP BEF 0.01825 0.4007 9.93377
352 2WMO GTP 0.005935 0.42763 10
353 2RCN GDP 0.009333 0.42748 10.0559
354 3RV5 DXC 0.0102 0.43583 10.1124
355 4QVH FLC 0.01488 0.4732 10.3679
356 3F81 STT 0.04823 0.42711 10.3825
357 2R5T ANP 0.002431 0.42424 10.4558
358 3PMD 11A 0.01313 0.42096 10.4575
359 1LYX PGA 0.006477 0.42605 10.4839
360 2DVZ GLU 0.001792 0.45891 10.5096
361 1R5A GTS 0.03848 0.40391 10.5505
362 3GF2 SAL 0.002093 0.49393 10.9589
363 3SCH TB6 0.003817 0.46632 11.1111
364 2CSN CKI 0.004265 0.40326 11.4478
365 1UAY ADN 0.006629 0.42563 11.5702
366 1UO5 PIH 0.003472 0.50961 11.7647
367 3GTD MLI 0.01249 0.43557 11.8257
368 4JCA CIT 0.02569 0.44943 11.976
369 1ULE GLA GAL NAG 0.01532 0.44811 12
370 1F1V DHY 0.0005268 0.48814 12.0743
371 1NF8 BOG 0.0312 0.42607 12.5604
372 1NF8 ISC 0.01407 0.41571 12.5604
373 2WK1 SAH 0.00339 0.41892 12.766
374 3I6B KDO 0.008529 0.43841 12.7778
375 1C1L GAL BGC 0.002441 0.48282 13.1387
376 4F4S EFO 0.0006097 0.49158 13.1579
377 2XDQ MGX 0.01489 0.45554 13.4783
378 2XI7 XI7 0.0007791 0.54842 13.587
379 2YDW WSH 0.005926 0.43615 13.7255
380 4WNB 4BN 0.01562 0.40338 13.9535
381 1GU3 BGC BGC BGC BGC BGC 0.0442 0.40494 14.094
382 2IYG FMN 0.005855 0.432 14.5161
383 1ZZ7 S0H 0.009366 0.43652 14.6465
384 2QLX RM4 0.001908 0.48829 14.8148
385 1YRX FMN 0.007931 0.42239 14.876
386 1NML CIT 0.002052 0.46714 15.0307
387 1JAC AMG 0.01421 0.46428 15.0376
388 3NCQ ATP 0.007669 0.40587 15.126
389 3KPE TM3 0.02362 0.42707 15.3846
390 1H2M OGA 0.04211 0.41448 15.3846
391 3CH5 GDP 0.01644 0.41281 15.3846
392 1PTR PRB 0.04414 0.41824 16
393 1UW1 ADP 0.007276 0.44683 16.25
394 3W54 RNB 0.02335 0.4028 16.4134
395 1O0D 163 0.001032 0.45004 16.6667
396 2FEQ 34P 0.006219 0.41924 16.6667
397 1Y75 NAG 0.001288 0.47067 16.9492
398 1NP0 NGT 0.02053 0.4301 17.2414
399 2PR5 FMN 0.0005565 0.45614 17.4242
400 2X2T GAL NGA 0.004898 0.48216 18.3007
401 1H2K OGA 0.04071 0.41522 19.5122
402 1BTN I3P 0.01506 0.47084 19.8113
403 1VF1 GSH 0.00745 0.41271 24.4541
404 2Y7P SAL 0.02108 0.42007 25.2294
405 2E1A MSE 0.01642 0.42077 25.3333
406 2IBZ UQ6 0.02137 0.40872 27.027
407 1O9U ADZ 0.001458 0.51108 27.7778
408 1T0S BML 0.006487 0.46793 27.907
409 2R0H CTO 0.03823 0.42409 28.6585
410 2FOI JPA 0.02557 0.40817 31.6667
Pocket No.: 2; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found: 130
This union binding pocket(no: 2) in the query (biounit: 2amv.bio3) has 71 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YBH P22 0.0289 0.40581 1.01695
2 3B1F NAD 0.008606 0.40109 1.37931
3 3E5P PPI 0.005122 0.49618 1.61725
4 3VPQ GSH 0.00882 0.44282 1.96078
5 1C7S CBS 0.005549 0.43299 2.019
6 3A2Q ACA ACA 0.001477 0.44389 2.0284
7 1T3D CYS 0.008728 0.45453 2.07612
8 1PEA ACM 0.02548 0.43631 2.07792
9 4FFS BIG 0.004731 0.40743 2.09205
10 1WTC ACP 0.04938 0.41569 2.16718
11 2IZ1 ATR 0.03897 0.41618 2.32068
12 2YKX AKG 0.02963 0.42723 2.36559
13 4LIT AKG 0.02852 0.41827 2.457
14 1ZED PNP 0.0005634 0.51532 2.47934
15 2VAR AMP 0.01023 0.42573 2.55591
16 3S6T OAN 0.007984 0.41494 2.6087
17 4M5P 23W 0.009786 0.45845 2.7027
18 1FBL HTA 0.007229 0.43235 2.7027
19 1E5F PLP 0.007438 0.41976 2.72277
20 4IMG NGF 0.0115 0.40232 2.73038
21 3O2K DST 0.01269 0.43038 2.74262
22 3QP4 HL0 0.007041 0.42073 2.74725
23 4E28 9MZ 0.01457 0.43751 2.76923
24 4E28 0MZ 0.02586 0.42033 2.76923
25 1QDS PGA 0.03327 0.4031 2.78884
26 4BG1 IVL 0.003675 0.41763 2.84238
27 4BG1 OGA 0.003675 0.41763 2.84238
28 3L6R MLI 0.01645 0.44041 2.89017
29 1A59 CIT 0.01542 0.44185 2.91005
30 1A59 COA 0.0126 0.40389 2.91005
31 4OB6 S2T 0.002512 0.43886 2.93255
32 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.01047 0.407 2.98013
33 3CKJ CIT 0.003419 0.40371 3.03951
34 4B8V NDG NAG NAG NAG 0.002083 0.4108 3.07018
35 3F8C HT1 0.00397 0.45943 3.1746
36 3MAG SAH 0.00395 0.41984 3.25733
37 3CR4 PNT 0.02212 0.41096 3.26087
38 1V6A TRE 0.0369 0.41284 3.31325
39 3VTF UPG 0.008185 0.40791 3.37838
40 2VPR TDC 0.002481 0.43908 3.38164
41 3HZL 6PC 0.006497 0.4754 3.52645
42 1RYI GOA 0.001511 0.53472 3.56295
43 2R00 OEG 0.03126 0.42603 3.57143
44 2FGQ MLT 0.01541 0.4363 3.61446
45 3EW2 BTN 0.02746 0.41061 3.7037
46 2WA4 069 0.004652 0.43626 3.72493
47 3MTW M3R 0.006129 0.42317 3.97022
48 3EJ0 11X 0.003897 0.45697 4.08163
49 2BH9 NAP 0.01838 0.40378 4.08998
50 4GO7 THR 0.01464 0.41888 4.15677
51 1Q6O LG6 0.02001 0.40227 4.16667
52 1PX8 XYP 0.04317 0.40951 4.2
53 4H2F ADN 0.008925 0.40968 4.21245
54 1NHZ 486 0.007057 0.4042 4.28571
55 3DNT ATP 0.00296 0.4146 4.31818
56 1MDZ PLP 0.00119 0.40476 4.3257
57 1MDZ DCS 0.001049 0.40379 4.3257
58 3P0F BAU 0.01905 0.40314 4.3771
59 4L6C 0BT 0.002207 0.42236 4.45545
60 3GD8 BOG 0.03264 0.43055 4.4843
61 2VMD MBG 0.00281 0.49542 4.66926
62 1F5F DHT 0.009045 0.4128 4.87805
63 4RPM HXC 0.0461 0.44195 4.92611
64 1W3R PYR 0.001284 0.50517 5.09259
65 1VJT NAD 0.005676 0.4139 5.17598
66 1RKD ADP 0.0007047 0.41153 5.17799
67 1RKD RIB 0.0007047 0.41153 5.17799
68 1P9B GDP 0.01843 0.40053 5.20362
69 1TUV VK3 0.006775 0.4744 5.26316
70 1H2B OCA 0.04163 0.41028 5.29248
71 3M6W SAM 0.001297 0.45048 5.34442
72 1V7R CIT 0.04018 0.43814 5.37634
73 1S2D ADE 0.009691 0.41876 5.38922
74 2WQF FMN 0.005586 0.43287 5.44554
75 3LST SAH 0.007013 0.42462 5.45977
76 2Z9C FMN 0.005077 0.41573 5.5
77 3BK2 U5P 0.02979 0.40169 5.51601
78 1TH8 ADP 0.03002 0.40508 5.51724
79 3NNF AKG 0.03119 0.42103 5.52326
80 1Y13 BIO 0.003974 0.44375 5.52486
81 1E4E PHY 0.012 0.41133 5.53936
82 3EYK EYK 0.01739 0.43369 5.57276
83 1KDK DHT 0.00356 0.41489 5.64972
84 1XX6 ADP 0.008526 0.42921 5.75916
85 2RHQ GAX 0.006849 0.40466 5.78231
86 1WKL ATP 0.00827 0.41096 5.83942
87 4LWM MHO 0.01694 0.44764 5.99078
88 4L7I SAM 0.01658 0.40235 6.14251
89 1O68 KIV 0.02471 0.41685 6.18182
90 4AF5 CIT 0.004335 0.46358 6.31579
91 2Z1U ATP 0.005776 0.42421 6.70554
92 1BUC CAA 0.003801 0.40781 6.78851
93 4W97 UCA 0.00604 0.40088 7
94 3SJ0 DXC 0.02701 0.42931 7.04225
95 2Q37 3AL 0.004189 0.45832 7.18232
96 4E1M TQ2 0.01001 0.42615 7.22892
97 3SSO SAH 0.01052 0.40081 7.39857
98 3GX0 GDS 0.01116 0.40283 7.44186
99 3KMT SAH 0.01349 0.41277 7.56302
100 1XIU REA 0.01103 0.40939 7.82609
101 2NX1 RP5 0.003055 0.40259 7.86517
102 3I0O SMI 0.01589 0.43054 7.9646
103 3I0O ADP 0.02054 0.41239 7.9646
104 4LFL TG6 0.01557 0.41769 8.13953
105 2PFC PLM 0.004949 0.43512 8.19672
106 1X92 M7P 0.008645 0.42477 8.54271
107 4P4T GDP 0.002393 0.43174 8.61111
108 4JHG ZEA 0.001138 0.45278 8.92857
109 3CF6 SP1 0.01018 0.41422 8.98204
110 3U7Y FLC 0.02759 0.46317 9.04762
111 2D0V PQQ 0.007777 0.40875 9.72222
112 2P1O IHP 0.001984 0.40323 10
113 2P1O NLA 0.001984 0.40323 10
114 2C2A ADP 0.01573 0.40326 10.4651
115 1UFY MLI 0.01601 0.43548 10.6557
116 3RK0 AMP 0.004176 0.43826 10.9705
117 3D3H M4O 0.01079 0.4132 11
118 1ECM TSA 0.008416 0.43391 11.0092
119 3I51 45C 0.02246 0.40698 11.1111
120 1OGZ EQU 0.02374 0.40595 12
121 3K5X P8D 0.002414 0.45324 12.5
122 2HVW DCP 0.01131 0.41596 13.0435
123 3L1N PLM 0.0104 0.4071 14.433
124 1LSS NAD 0.009036 0.40324 15
125 4Q3F TLA 0.002386 0.47639 15.3846
126 2YCD GTB 0.02218 0.40722 16.5217
127 1SC3 MLI 0.0199 0.44205 18.1818
128 2XRH NIO 0.01181 0.44781 19
129 3RGG AIR 0.02899 0.40576 19.4969
130 4NM5 ADP 0.005573 0.40789 20.8333
Pocket No.: 3; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 2amv.bio2) has 71 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FJJ MAN 0.03668 0.42415 1.42518
2 5UGW GSH