Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BIN A:930;
Valid;
none;
Ki = 1.6 nM
406.837 C20 H21 Cl N O6 CC[n+...
GOL A:998;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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 (156)
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 6F3R Ki = 1.19 uM CKZ C21 H21 N3 O5 c1ccc-2c(c....
9 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
10 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
11 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
12 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
13 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
14 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
15 5OWY - B0W C15 H17 N3 O7 c1cc(ccc1c....
16 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
17 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
18 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
19 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
20 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
21 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
22 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
23 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
24 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
25 2GPA - GLC C6 H12 O6 C([C@@H]1[....
26 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
27 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
28 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
29 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
30 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
31 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
32 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
33 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
34 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
35 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
36 1P2B - GLC GLC GLC GLC GLC n/a n/a
37 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
38 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
39 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
40 6F3U Ki = 11.5 uM CNK C18 H19 N3 O5 c1ccc2c(c1....
41 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
42 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
43 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
44 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
45 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
46 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
47 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
48 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
49 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
50 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
51 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
52 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
53 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
54 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
55 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
56 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
57 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
58 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
59 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
60 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
61 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
62 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
63 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
64 5OX1 Ki = 1.95 uM B1K C15 H19 N3 O6 COc1ccc(cc....
65 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
66 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
67 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
68 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
69 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
70 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
71 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
72 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
73 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
74 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
75 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
76 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
77 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
78 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
79 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
80 5OWZ Ki = 111 uM B0Z C15 H16 F3 N3 O5 c1cc(ccc1c....
81 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
82 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
83 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
84 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
85 6F3J Ki = 4.42 uM CKQ C21 H21 N3 O7 c1cc(ccc1c....
86 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
87 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
88 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
89 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
90 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
91 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
92 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
93 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
94 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
95 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
96 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
97 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
98 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
99 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
100 6F3S Ki = 2.38 uM CKW C20 H21 N3 O5 c1ccc(cc1)....
101 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
102 5OX3 Ki = 2.9 uM B1N C14 H17 N3 O6 c1cc(ccc1c....
103 1LWN - GLC C6 H12 O6 C([C@@H]1[....
104 1P29 - GLC GLC GLC GLC GLC n/a n/a
105 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
106 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
107 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
108 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
109 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
110 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
111 6F3L Ki = 5.05 uM CJW C19 H19 N3 O7 c1cc(cc2c1....
112 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
113 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
114 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
115 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
116 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
117 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
118 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
119 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
120 5OX0 Ki = 33.5 uM B1H C14 H17 N4 O7 c1cc(ccc1c....
121 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
122 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
123 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
124 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
125 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
126 5MEM Ki = 71 nM 7LS C23 H22 N4 O7 c1ccc2c(c1....
127 2SKC - GLC C6 H12 O6 C([C@@H]1[....
128 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
129 1LWO - GLC C6 H12 O6 C([C@@H]1[....
130 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
131 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
132 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
133 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
134 5OX4 Ki = 0.67 uM B1W C14 H18 N4 O5 c1cc(ccc1c....
135 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
136 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
137 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
138 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
139 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
140 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
141 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
142 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
143 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
144 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
145 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
146 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
147 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
148 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
149 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
150 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
151 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
152 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
153 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
154 1P2D - GLC GLC n/a n/a
155 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
156 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
70% Homology Family (170)
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 6F3R Ki = 1.19 uM CKZ C21 H21 N3 O5 c1ccc-2c(c....
9 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
10 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
11 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
12 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
13 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
14 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
15 5OWY - B0W C15 H17 N3 O7 c1cc(ccc1c....
16 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
17 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
18 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
19 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
20 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
21 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
22 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
23 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
24 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
25 2GPA - GLC C6 H12 O6 C([C@@H]1[....
26 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
27 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
28 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
29 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
30 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
31 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
32 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
33 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
34 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
35 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
36 1P2B - GLC GLC GLC GLC GLC n/a n/a
37 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
38 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
39 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
40 6F3U Ki = 11.5 uM CNK C18 H19 N3 O5 c1ccc2c(c1....
41 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
42 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
43 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
44 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
45 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
46 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
47 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
48 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
49 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
50 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
51 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
52 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
53 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
54 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
55 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
56 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
57 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
58 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
59 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
60 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
61 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
62 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
63 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
64 5OX1 Ki = 1.95 uM B1K C15 H19 N3 O6 COc1ccc(cc....
65 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
66 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
67 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
68 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
69 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
70 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
71 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
72 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
73 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
74 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
75 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
76 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
77 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
78 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
79 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
80 5OWZ Ki = 111 uM B0Z C15 H16 F3 N3 O5 c1cc(ccc1c....
81 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
82 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
83 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
84 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
85 6F3J Ki = 4.42 uM CKQ C21 H21 N3 O7 c1cc(ccc1c....
86 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
87 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
88 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
89 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
90 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
91 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
92 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
93 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
94 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
95 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
96 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
97 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
98 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
99 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
100 6F3S Ki = 2.38 uM CKW C20 H21 N3 O5 c1ccc(cc1)....
101 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
102 5OX3 Ki = 2.9 uM B1N C14 H17 N3 O6 c1cc(ccc1c....
103 1LWN - GLC C6 H12 O6 C([C@@H]1[....
104 1P29 - GLC GLC GLC GLC GLC n/a n/a
105 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
106 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
107 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
108 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
109 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
110 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
111 6F3L Ki = 5.05 uM CJW C19 H19 N3 O7 c1cc(cc2c1....
112 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
113 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
114 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
115 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
116 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
117 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
118 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
119 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
120 5OX0 Ki = 33.5 uM B1H C14 H17 N4 O7 c1cc(ccc1c....
121 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
122 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
123 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
124 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
125 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
126 5MEM Ki = 71 nM 7LS C23 H22 N4 O7 c1ccc2c(c1....
127 2SKC - GLC C6 H12 O6 C([C@@H]1[....
128 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
129 1LWO - GLC C6 H12 O6 C([C@@H]1[....
130 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
131 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
132 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
133 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
134 5OX4 Ki = 0.67 uM B1W C14 H18 N4 O5 c1cc(ccc1c....
135 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
136 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
137 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
138 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
139 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
140 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
141 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
142 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
143 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
144 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
145 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
146 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
147 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
148 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
149 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
150 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
151 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
152 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
153 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
154 1P2D - GLC GLC n/a n/a
155 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
156 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
157 1L5R ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
158 1EM6 ic50 = 6 nM CP4 C24 H24 Cl2 N4 O4 c1cc2c(cc1....
159 1L5Q ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
160 1EXV ic50 = 45 nM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
161 1L7X ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
162 3DDS ic50 = 506 nM 26B C29 H35 N3 O5 Cc1cc(c(c(....
163 1FC0 - NBG C8 H15 N O6 CC(=O)N[C@....
164 3CEM Kd = 24 nM AVD C23 H12 Cl2 F2 N2 O5 c1ccc(c(c1....
165 2ATI ic50 = 23 nM IHU C15 H12 Cl F N2 O4 COc1ccc(cc....
166 1L5S ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
167 1FA9 - GLC C6 H12 O6 C([C@@H]1[....
168 1XOI ic50 = 0.057 uM 288 C18 H24 Cl N3 O3 c1cc2c(cc1....
169 3DDW ic50 = 1067 nM 055 C27 H22 Cl N3 O4 Cc1cccc(c1....
170 2ZB2 ic50 = 0.9 uM A46 C17 H15 Cl N2 O3 c1cc(ccc1[....
50% Homology Family (177)
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 6F3R Ki = 1.19 uM CKZ C21 H21 N3 O5 c1ccc-2c(c....
9 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
10 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
11 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
12 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
13 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
14 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
15 5OWY - B0W C15 H17 N3 O7 c1cc(ccc1c....
16 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
17 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
18 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
19 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
20 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
21 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
22 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
23 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
24 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
25 2GPA - GLC C6 H12 O6 C([C@@H]1[....
26 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
27 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
28 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
29 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
30 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
31 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
32 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
33 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
34 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
35 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
36 1P2B - GLC GLC GLC GLC GLC n/a n/a
37 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
38 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
39 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
40 6F3U Ki = 11.5 uM CNK C18 H19 N3 O5 c1ccc2c(c1....
41 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
42 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
43 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
44 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
45 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
46 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
47 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
48 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
49 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
50 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
51 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
52 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
53 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
54 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
55 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
56 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
57 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
58 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
59 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
60 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
61 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
62 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
63 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
64 5OX1 Ki = 1.95 uM B1K C15 H19 N3 O6 COc1ccc(cc....
65 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
66 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
67 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
68 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
69 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
70 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
71 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
72 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
73 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
74 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
75 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
76 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
77 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
78 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
79 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
80 5OWZ Ki = 111 uM B0Z C15 H16 F3 N3 O5 c1cc(ccc1c....
81 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
82 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
83 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
84 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
85 6F3J Ki = 4.42 uM CKQ C21 H21 N3 O7 c1cc(ccc1c....
86 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
87 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
88 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
89 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
90 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
91 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
92 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
93 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
94 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
95 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
96 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
97 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
98 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
99 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
100 6F3S Ki = 2.38 uM CKW C20 H21 N3 O5 c1ccc(cc1)....
101 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
102 5OX3 Ki = 2.9 uM B1N C14 H17 N3 O6 c1cc(ccc1c....
103 1LWN - GLC C6 H12 O6 C([C@@H]1[....
104 1P29 - GLC GLC GLC GLC GLC n/a n/a
105 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
106 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
107 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
108 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
109 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
110 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
111 6F3L Ki = 5.05 uM CJW C19 H19 N3 O7 c1cc(cc2c1....
112 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
113 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
114 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
115 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
116 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
117 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
118 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
119 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
120 5OX0 Ki = 33.5 uM B1H C14 H17 N4 O7 c1cc(ccc1c....
121 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
122 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
123 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
124 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
125 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
126 5MEM Ki = 71 nM 7LS C23 H22 N4 O7 c1ccc2c(c1....
127 2SKC - GLC C6 H12 O6 C([C@@H]1[....
128 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
129 1LWO - GLC C6 H12 O6 C([C@@H]1[....
130 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
131 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
132 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
133 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
134 5OX4 Ki = 0.67 uM B1W C14 H18 N4 O5 c1cc(ccc1c....
135 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
136 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
137 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
138 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
139 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
140 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
141 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
142 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
143 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
144 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
145 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
146 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
147 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
148 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
149 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
150 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
151 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
152 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
153 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
154 1P2D - GLC GLC n/a n/a
155 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
156 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
157 2AV6 - BGC GLC GLC GLC GLC n/a n/a
158 1L6I - GLC GLC GLC GLC GLC n/a n/a
159 1L5W - GLC GLC GLC GLC n/a n/a
160 2AW3 - BGC GLC GLC GLC GLC n/a n/a
161 1QM5 Ki = 1.5 uM GLC GLC GLC PO4 SGC GLC n/a n/a
162 1L5V - G1P C6 H13 O9 P C([C@@H]1[....
163 2AZD - BGC GLC GLC GLC n/a n/a
164 1L5R ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
165 1EM6 ic50 = 6 nM CP4 C24 H24 Cl2 N4 O4 c1cc2c(cc1....
166 1L5Q ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
167 1EXV ic50 = 45 nM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
168 1L7X ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
169 3DDS ic50 = 506 nM 26B C29 H35 N3 O5 Cc1cc(c(c(....
170 1FC0 - NBG C8 H15 N O6 CC(=O)N[C@....
171 3CEM Kd = 24 nM AVD C23 H12 Cl2 F2 N2 O5 c1ccc(c(c1....
172 2ATI ic50 = 23 nM IHU C15 H12 Cl F N2 O4 COc1ccc(cc....
173 1L5S ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
174 1FA9 - GLC C6 H12 O6 C([C@@H]1[....
175 1XOI ic50 = 0.057 uM 288 C18 H24 Cl N3 O3 c1cc2c(cc1....
176 3DDW ic50 = 1067 nM 055 C27 H22 Cl N3 O4 Cc1cccc(c1....
177 2ZB2 ic50 = 0.9 uM A46 C17 H15 Cl N2 O3 c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BIN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BIN 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2amv.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2amv.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2amv.bio3) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2amv.bio3) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2AMV; Ligand: BIN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2amv.bio2) has 71 residues
No: Leader PDB Ligand Sequence Similarity
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