Receptor
PDB id Resolution Class Description Source Keywords
3ET0 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF PPARGAMMA WITH 3-(5-METHOXY-1H-INDOL-3-YL)- PROPIONIC ACID HOMO SAPIENS PPAR PPARG PPARGAMMA DRUG DISCOVERY DIABETES ADIPONECTIN METABOLIC DISEASE FRAGMENT-BASED DRUG DISCOVERY SCAFFOLD-BASED DRUG DISCOVERY ACTIVATOR ALTERNATIVE SPLICING DIABETES MELLITUS DISEASE MUTATION DNA-BINDING METAL-BINDING NUCLEUS OBESITY PHOSPHOPROTEIN POLYMORPHISM RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: SCAFFOLD-BASED DISCOVERY OF INDEGLITAZAR, A PPAR PAN-ACTIVE ANTI-DIABETIC AGENT PROC.NATL.ACAD.SCI.USA V. 106 262 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ET0 A:1;
Valid;
none;
submit data
219.237 C12 H13 N O3 COc1c...
GLC B:2;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P4Y 2.25 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN PPAR-GAMMA-LIGAND BINDING DOMAIN COMPLEXED WITH AN INDOLE-BASED MODULATOR HOMO SAPIENS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN LBD ALPHA HELIX SANDWICH PPAR-HOMODIMER SPPARGM PARTIAL AGONIST TRANSCRIPTION
Ref.: THE DIFFERENTIAL INTERACTIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGANDS WITH TYR473 IS A PHYSICAL BASIS FOR THEIR UNIQUE BIOLOGICAL ACTIVITIES. MOL.PHARMACOL. V. 73 62 2008
Members (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2Q61 - SF1 C22 H16 Cl N O2 S c1ccc(cc1)....
2 3AN3 - M7S C37 H43 N O4 CCCOc1ccc(....
3 1ZEO ic50 = 0.21 uM C01 C25 H30 N O5 CCCc1cc2c(....
4 3R8I Kd = 4.5 uM XCX C26 H34 N2 O4 CCCCCCCN(C....
5 3ADW Kd = 72.8 uM MYI C11 H11 N O3 COc1ccc2c(....
6 4E4K - RRG C24 H24 O3 CC(C)c1ccc....
7 4XUH ic50 = 1.87 uM SFI C20 H17 F O2 S CC1=C(c2cc....
8 2POB - GW4 C36 H35 N3 O4 Cc1c(nc(o1....
9 2HWR - DRD C35 H35 N O5 CCCc1c2ccc....
10 4R2U - 3JX C33 H29 N3 O5 Cc1c(n(c2c....
11 2ZNO - S44 C32 H41 N O4 CCCOc1ccc(....
12 4XUM ic50 = 21.3 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
13 3R5N Kd = 1.67 uM MLO C18 H18 O2 C=CCc1ccc(....
14 2HWQ - DRY C33 H31 N O5 CCCc1c2ccc....
15 3VJH - J35 C22 H24 F3 N O4 CCC[C@@H](....
16 3U9Q Ki = 41.7 uM DKA C10 H20 O2 CCCCCCCCCC....
17 2Q6R - SF2 C23 H18 Cl N O3 S COc1cccc(c....
18 2P4Y Ki = 0.001 uM C03 C28 H22 Cl F3 N2 O6 Cc1c(c2ccc....
19 5Y2O - 8N6 C19 H20 N2 O3 S CCc1ccc(nc....
20 3D6D - LRG C21 H18 O3 c1ccc(cc1)....
21 2F4B ic50 = 50 nM EHA C33 H31 N O5 CCCc1c2ccc....
22 3BC5 ic50 = 0.005 uM ZAA C29 H26 N4 O4 Cc1c(nc(o1....
23 3VSO - EK1 C31 H31 N3 O4 CCCOc1ccc(....
24 4R06 Kd = 565 nM 3E7 C28 H24 N2 O3 S CC[C@@H](c....
25 1I7I - AZ2 C20 H24 O7 S CCO[C@@H](....
26 4R6S - 3K2 C33 H29 N3 O5 Cc1c(n(c2c....
27 3GBK - 2PQ C38 H41 N O5 CCCc1cc(cc....
28 3SZ1 - LU2 C15 H10 O6 c1cc(c(cc1....
29 2ZVT - PTG C20 H28 O3 CCCCCC=CC=....
30 2ATH ic50 = 0.152 uM 3EA C24 H23 F3 N2 O5 CCCc1c(ccc....
31 4XLD - BRL C18 H19 N3 O3 S CN(CCOc1cc....
32 6C5Q ic50 = 220 nM EKS C34 H40 N2 O4 Cc1c(n(c2c....
33 2G0H ic50 = 22.7 nM SP3 C21 H12 F7 N3 O2 S2 c1cc(sc1)c....
34 2Q5P - 241 C28 H24 F3 N O6 Cc1c(c2cc(....
35 2GTK ic50 = 0.251 uM 208 C24 H23 Cl N2 O4 CCO[C@@H](....
36 4Y29 ic50 = 566 nM CTI C21 H18 N O4 C[n+]1cc2c....
37 5UGM - 8A7 C24 H20 N2 O4 S2 Cc1c(nc(o1....
38 2I4J - DRJ C27 H36 N2 O4 CCCCCCCN(C....
39 3R8A - HIG C26 H25 N7 CCc1nc2c(c....
40 4XTA ic50 = 3.7 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
41 3TY0 ic50 = 83.1 nM 082 C26 H20 N4 O6 C[C@]1(C(=....
42 4YT1 - JJB C29 H28 N4 O5 S CCCOc1ccc(....
43 2ZK6 - C08 C22 H31 B F2 N2 O2 [B-]1(n2c(....
44 3ADS Kd = 9.73 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
45 3ET0 - GLC C6 H12 O6 C([C@@H]1[....
46 5Y2T - 8LX C24 H24 N4 O5 S CN(CCOc1cc....
47 4E4Q - RRH C24 H24 O3 CC(C)c1ccc....
48 1KNU - YPA C25 H25 N O4 CCO[C@@H](....
49 2Q8S ic50 = 0.185 uM L92 C26 H26 N2 O3 Cc1c(nc(o1....
50 2YFE Ki = 0.236 uM YFE C21 H24 O4 CC(=CCc1c(....
51 4EM9 - KNA C9 H18 O2 CCCCCCCCC(....
52 2Q6S - PLB C18 H11 Cl2 N3 O4 c1cnc(nc1)....
53 3AN4 - M7R C37 H43 N O4 CCCOc1ccc(....
54 3PBA - ZXG C15 H12 Br4 O5 S CC(C)(c1cc....
55 3ADV Kd = 933 uM SRO C10 H12 N2 O c1cc2c(cc1....
56 6ENQ - BJB C19 H15 Cl N2 O4 S2 c1cc2c(cc1....
57 6C1I ic50 = 85 nM EEY C12 H8 Cl N3 O3 c1cc(c(cc1....
58 2Q5S - NZA C22 H15 Cl2 N O2 S c1ccc(cc1)....
59 5F9B - 5VN C30 H48 O5 C[C@]12CC[....
60 2I4P - DRH C27 H36 N2 O4 CCCCCCC[N@....
61 5LSG Kd = 4 uM QZQ C30 H46 O3 CC(=C)[C@@....
62 5TTO - 7KK C21 H11 Br Cl2 F2 N2 O3 S c1ccc2c(c1....
63 5HZC - 65W C20 H18 O3 CC(C)(C(=O....
64 3IA6 ic50 = 0.003 uM UNT C24 H24 N4 O3 Cc1c(nc(o1....
65 3ADX - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
66 6F2L - AXY C27 H22 O3 c1ccc(cc1)....
67 3HOD - ZZH C22 H20 O3 c1ccc(cc1)....
68 6AVI - KNA C9 H18 O2 CCCCCCCCC(....
69 2I4Z - DRH C27 H36 N2 O4 CCCCCCC[N@....
70% Homology Family (104)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2Q61 - SF1 C22 H16 Cl N O2 S c1ccc(cc1)....
2 3AN3 - M7S C37 H43 N O4 CCCOc1ccc(....
3 1ZEO ic50 = 0.21 uM C01 C25 H30 N O5 CCCc1cc2c(....
4 3R8I Kd = 4.5 uM XCX C26 H34 N2 O4 CCCCCCCN(C....
5 3ADW Kd = 72.8 uM MYI C11 H11 N O3 COc1ccc2c(....
6 4E4K - RRG C24 H24 O3 CC(C)c1ccc....
7 4XUH ic50 = 1.87 uM SFI C20 H17 F O2 S CC1=C(c2cc....
8 2POB - GW4 C36 H35 N3 O4 Cc1c(nc(o1....
9 2HWR - DRD C35 H35 N O5 CCCc1c2ccc....
10 4R2U - 3JX C33 H29 N3 O5 Cc1c(n(c2c....
11 2ZNO - S44 C32 H41 N O4 CCCOc1ccc(....
12 4XUM ic50 = 21.3 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
13 3R5N Kd = 1.67 uM MLO C18 H18 O2 C=CCc1ccc(....
14 2HWQ - DRY C33 H31 N O5 CCCc1c2ccc....
15 3VJH - J35 C22 H24 F3 N O4 CCC[C@@H](....
16 3U9Q Ki = 41.7 uM DKA C10 H20 O2 CCCCCCCCCC....
17 2Q6R - SF2 C23 H18 Cl N O3 S COc1cccc(c....
18 2P4Y Ki = 0.001 uM C03 C28 H22 Cl F3 N2 O6 Cc1c(c2ccc....
19 5Y2O - 8N6 C19 H20 N2 O3 S CCc1ccc(nc....
20 3D6D - LRG C21 H18 O3 c1ccc(cc1)....
21 2F4B ic50 = 50 nM EHA C33 H31 N O5 CCCc1c2ccc....
22 3BC5 ic50 = 0.005 uM ZAA C29 H26 N4 O4 Cc1c(nc(o1....
23 3VSO - EK1 C31 H31 N3 O4 CCCOc1ccc(....
24 4R06 Kd = 565 nM 3E7 C28 H24 N2 O3 S CC[C@@H](c....
25 1I7I - AZ2 C20 H24 O7 S CCO[C@@H](....
26 4R6S - 3K2 C33 H29 N3 O5 Cc1c(n(c2c....
27 3GBK - 2PQ C38 H41 N O5 CCCc1cc(cc....
28 3SZ1 - LU2 C15 H10 O6 c1cc(c(cc1....
29 2ZVT - PTG C20 H28 O3 CCCCCC=CC=....
30 2ATH ic50 = 0.152 uM 3EA C24 H23 F3 N2 O5 CCCc1c(ccc....
31 4XLD - BRL C18 H19 N3 O3 S CN(CCOc1cc....
32 6C5Q ic50 = 220 nM EKS C34 H40 N2 O4 Cc1c(n(c2c....
33 2G0H ic50 = 22.7 nM SP3 C21 H12 F7 N3 O2 S2 c1cc(sc1)c....
34 2Q5P - 241 C28 H24 F3 N O6 Cc1c(c2cc(....
35 2GTK ic50 = 0.251 uM 208 C24 H23 Cl N2 O4 CCO[C@@H](....
36 4Y29 ic50 = 566 nM CTI C21 H18 N O4 C[n+]1cc2c....
37 5UGM - 8A7 C24 H20 N2 O4 S2 Cc1c(nc(o1....
38 2I4J - DRJ C27 H36 N2 O4 CCCCCCCN(C....
39 3R8A - HIG C26 H25 N7 CCc1nc2c(c....
40 4XTA ic50 = 3.7 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
41 3TY0 ic50 = 83.1 nM 082 C26 H20 N4 O6 C[C@]1(C(=....
42 4YT1 - JJB C29 H28 N4 O5 S CCCOc1ccc(....
43 2ZK6 - C08 C22 H31 B F2 N2 O2 [B-]1(n2c(....
44 3ADS Kd = 9.73 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
45 3ET0 - GLC C6 H12 O6 C([C@@H]1[....
46 5Y2T - 8LX C24 H24 N4 O5 S CN(CCOc1cc....
47 4E4Q - RRH C24 H24 O3 CC(C)c1ccc....
48 1KNU - YPA C25 H25 N O4 CCO[C@@H](....
49 2Q8S ic50 = 0.185 uM L92 C26 H26 N2 O3 Cc1c(nc(o1....
50 2YFE Ki = 0.236 uM YFE C21 H24 O4 CC(=CCc1c(....
51 4EM9 - KNA C9 H18 O2 CCCCCCCCC(....
52 2Q6S - PLB C18 H11 Cl2 N3 O4 c1cnc(nc1)....
53 3AN4 - M7R C37 H43 N O4 CCCOc1ccc(....
54 3PBA - ZXG C15 H12 Br4 O5 S CC(C)(c1cc....
55 3ADV Kd = 933 uM SRO C10 H12 N2 O c1cc2c(cc1....
56 6ENQ - BJB C19 H15 Cl N2 O4 S2 c1cc2c(cc1....
57 6C1I ic50 = 85 nM EEY C12 H8 Cl N3 O3 c1cc(c(cc1....
58 2Q5S - NZA C22 H15 Cl2 N O2 S c1ccc(cc1)....
59 5F9B - 5VN C30 H48 O5 C[C@]12CC[....
60 2I4P - DRH C27 H36 N2 O4 CCCCCCC[N@....
61 5LSG Kd = 4 uM QZQ C30 H46 O3 CC(=C)[C@@....
62 5TTO - 7KK C21 H11 Br Cl2 F2 N2 O3 S c1ccc2c(c1....
63 5HZC - 65W C20 H18 O3 CC(C)(C(=O....
64 3IA6 ic50 = 0.003 uM UNT C24 H24 N4 O3 Cc1c(nc(o1....
65 3ADX - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
66 6F2L - AXY C27 H22 O3 c1ccc(cc1)....
67 3HOD - ZZH C22 H20 O3 c1ccc(cc1)....
68 6AVI - KNA C9 H18 O2 CCCCCCCCC(....
69 2I4Z - DRH C27 H36 N2 O4 CCCCCCC[N@....
70 2AWH - VCA C18 H34 O2 CCCCCCC=CC....
71 5U3Y - 7U7 C27 H29 N O5 c1ccc(c(c1....
72 5U3T - 7UY C27 H31 N O4 S CC(C)N(Cc1....
73 5U3X - 7U4 C28 H30 N2 O4 c1ccc(c(c1....
74 2BAW - VCA C18 H34 O2 CCCCCCC=CC....
75 5U3Z - 7UA C27 H29 N O5 c1ccc(c(c1....
76 5U3Q - 7UJ C29 H33 N O4 CC(C)N(Cc1....
77 5U45 - 7SY C29 H30 F N O4 c1ccc(c(c1....
78 3SP9 - IL2 C22 H32 O4 CC#CC[C@@H....
79 3GWX ic50 = 4 uM EPA C20 H30 O2 CCC=C/CC=C....
80 5U3V - 7TY C29 H33 N O5 c1ccc(c(c1....
81 2XYJ - WLM C21 H23 Cl N4 O4 S2 CC(C)c1nnc....
82 5U3S - 7V4 C27 H31 N O5 CC(C)N(Cc1....
83 5U3W - 7U1 C29 H31 N O4 c1ccc(cc1)....
84 5U40 - 7UD C31 H31 N O5 c1ccc(cc1)....
85 1GWX - 433 C28 H28 Cl3 F N2 O4 CC(C)(C(=O....
86 5XMX - 89L C26 H27 N O5 C/C(=CCOc1....
87 5U44 - 7SV C29 H30 F N O4 c1ccc(c(c1....
88 3TKM Kd = 22 nM GW0 C21 H17 F4 N O3 S2 Cc1cc(ccc1....
89 5U41 - 7UG C31 H31 N O4 S c1ccc(cc1)....
90 5U42 - 7SM C30 H33 N O5 COc1cccc(c....
91 5U3U - 7TV C29 H33 N O5 c1ccc(c(c1....
92 3GZ9 Ki = 0.004 uM D32 C27 H23 F3 O5 S Cc1c(c(ccc....
93 5U46 - 7T1 C21 H18 F3 N O3 S2 Cc1cc(ccc1....
94 5U3R - 7V1 C27 H31 N O5 CC(C)N(Cc1....
95 3ET2 - ET1 C19 H19 N O6 S COc1ccc(cc....
96 5U43 - 7SS C30 H33 N O5 COc1ccc(cc....
97 2B50 - VCA C18 H34 O2 CCCCCCC=CC....
98 3PEQ ic50 = 32 nM 3EQ C30 H31 N O5 S2 CCCC[N@@](....
99 4BCR - WY1 C14 H14 Cl N3 O2 S Cc1cccc(c1....
100 1I7G ic50 = 1 uM AZ2 C20 H24 O7 S CCO[C@@H](....
101 3KDU ic50 = 347 nM NKS C28 H25 Cl N2 O6 Cc1ccc(cc1....
102 3VI8 - 13M C30 H27 N O4 CC[C@@H](C....
103 2ZNN - S44 C32 H41 N O4 CCCOc1ccc(....
104 5HYK - 65W C20 H18 O3 CC(C)(C(=O....
50% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 3JZB ic50 ~ 0.1 nM 4HY C14 H9 I3 O4 c1cc(c(cc1....
2 4LNW - T3 C15 H12 I3 N O4 c1cc(c(cc1....
3 2H79 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
4 3HZF - B72 C20 H24 O4 Cc1cc(cc(c....
5 1NAV - IH5 C17 H16 Cl2 O4 CC(C)c1cc(....
6 4LNX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
7 2H77 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
8 3ET0 - GLC C6 H12 O6 C([C@@H]1[....
9 5Y2T - 8LX C24 H24 N4 O5 S CN(CCOc1cc....
10 4E4Q - RRH C24 H24 O3 CC(C)c1ccc....
11 1KNU - YPA C25 H25 N O4 CCO[C@@H](....
12 2Q8S ic50 = 0.185 uM L92 C26 H26 N2 O3 Cc1c(nc(o1....
13 2YFE Ki = 0.236 uM YFE C21 H24 O4 CC(=CCc1c(....
14 4EM9 - KNA C9 H18 O2 CCCCCCCCC(....
15 2Q6S - PLB C18 H11 Cl2 N3 O4 c1cnc(nc1)....
16 3AN4 - M7R C37 H43 N O4 CCCOc1ccc(....
17 3PBA - ZXG C15 H12 Br4 O5 S CC(C)(c1cc....
18 3ADV Kd = 933 uM SRO C10 H12 N2 O c1cc2c(cc1....
19 6ENQ - BJB C19 H15 Cl N2 O4 S2 c1cc2c(cc1....
20 6C1I ic50 = 85 nM EEY C12 H8 Cl N3 O3 c1cc(c(cc1....
21 2Q5S - NZA C22 H15 Cl2 N O2 S c1ccc(cc1)....
22 5F9B - 5VN C30 H48 O5 C[C@]12CC[....
23 2I4P - DRH C27 H36 N2 O4 CCCCCCC[N@....
24 5LSG Kd = 4 uM QZQ C30 H46 O3 CC(=C)[C@@....
25 5TTO - 7KK C21 H11 Br Cl2 F2 N2 O3 S c1ccc2c(c1....
26 5HZC - 65W C20 H18 O3 CC(C)(C(=O....
27 3IA6 ic50 = 0.003 uM UNT C24 H24 N4 O3 Cc1c(nc(o1....
28 3ADX - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
29 6F2L - AXY C27 H22 O3 c1ccc(cc1)....
30 3HOD - ZZH C22 H20 O3 c1ccc(cc1)....
31 6AVI - KNA C9 H18 O2 CCCCCCCCC(....
32 2I4Z - DRH C27 H36 N2 O4 CCCCCCC[N@....
33 5U44 - 7SV C29 H30 F N O4 c1ccc(c(c1....
34 3TKM Kd = 22 nM GW0 C21 H17 F4 N O3 S2 Cc1cc(ccc1....
35 5U41 - 7UG C31 H31 N O4 S c1ccc(cc1)....
36 5U42 - 7SM C30 H33 N O5 COc1cccc(c....
37 5U3U - 7TV C29 H33 N O5 c1ccc(c(c1....
38 3GZ9 Ki = 0.004 uM D32 C27 H23 F3 O5 S Cc1c(c(ccc....
39 5U46 - 7T1 C21 H18 F3 N O3 S2 Cc1cc(ccc1....
40 5U3R - 7V1 C27 H31 N O5 CC(C)N(Cc1....
41 3ET2 - ET1 C19 H19 N O6 S COc1ccc(cc....
42 5U43 - 7SS C30 H33 N O5 COc1ccc(cc....
43 2B50 - VCA C18 H34 O2 CCCCCCC=CC....
44 3PEQ ic50 = 32 nM 3EQ C30 H31 N O5 S2 CCCC[N@@](....
45 3VI8 - 13M C30 H27 N O4 CC[C@@H](C....
46 2ZNN - S44 C32 H41 N O4 CCCOc1ccc(....
47 5HYK - 65W C20 H18 O3 CC(C)(C(=O....
48 3LBD - REA C20 H28 O2 CC1=C(C(CC....
49 1NQ2 - 4HY C14 H9 I3 O4 c1cc(c(cc1....
50 1XZX Kd = 0.06 nM T3 C15 H12 I3 N O4 c1cc(c(cc1....
51 3JZC ic50 ~ 1 nM 4HY C14 H9 I3 O4 c1cc(c(cc1....
52 1NQ0 - 4HY C14 H9 I3 O4 c1cc(c(cc1....
53 1XAP Kd = 2.5 nM TTB C24 H28 O2 C/C(=Cc1cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ET0; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ET0 1 1
2 MYI 0.679245 0.971429
3 ML1 0.627119 0.645833
4 F1V 0.587302 0.62
5 IOP 0.491228 0.8
Ligand no: 2; Ligand: GLC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P4Y; Ligand: C03; 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: 2p4y.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2P4Y; Ligand: C03; 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: 2p4y.bio1) has 60 residues
No: Leader PDB Ligand Sequence Similarity
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