Receptor
PDB id Resolution Class Description Source Keywords
6AVI 2.29 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN I WITH GW9662 AND NONANOIC ACID HOMO SAPIENS NUCLEAR RECEPTORS TZDS DRUG DESIGN THERAPEUTIC TARGETS TRANSCRIPTION
Ref.: CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING IN COMPLEX WITH GW9662 AND NONANOIC ACID TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KNA B:503;
B:502;
A:502;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
158.238 C9 H18 O2 CCCCC...
GW9 A:501;
B:501;
Invalid;
Invalid;
none;
none;
submit data
276.675 C13 H9 Cl N2 O3 c1ccc...
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: KNA; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
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
APoc FAQ
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