Receptor
PDB id Resolution Class Description Source Keywords
1adl 1.6 Å NON-ENZYME: BINDING ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH ARACHIDONIC A CRYSTALLOGRAPHIC AND TITRATION CALORIMETRY STUDIES MUS MUSCULUS LIPID-BINDING PROTEIN LIPID BINDING PROTEIN
Ref.: ADIPOCYTE LIPID-BINDING PROTEIN COMPLEXED WITH ARAC ACID. TITRATION CALORIMETRY AND X-RAY CRYSTALLOGRAP STUDIES. J.BIOL.CHEM. V. 269 25339 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACD A:135;
 Valid;
 none;
 Kd = 4.4 uM
304.467 C20 H32 O2 CCCCC...
O A:132;
A:133;
A:134;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
15.999 O O
PPI A:136;
 Valid;
 none;
 submit data
74.079 C3 H6 O2 CCC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NNQ 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN ADIPOCYTE FATTY ACID BINDING PROT COMPLEX WITH ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-B IPHENYLYL)OXY)ACETIC ACID HOMO SAPIENS TRANSPORT LIPID-BINDING LIPID TRANSPORT
Ref.: POTENT AND SELECTIVE BIPHENYL AZOLE INHIBITORS OF A FATTY ACID BINDING PROTEIN (AFABP). BIOORG.MED.CHEM.LETT. V. 17 3511 2007
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
70% Homology Family (74)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
22 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
23 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
24 6LJW - EHO C13 H11 N O2 c1ccc(cc1)....
25 6LJX Ki = 50690.3 nM EHO C13 H11 N O2 c1ccc(cc1)....
26 6LJU Kd = 60.1 nM EHU C20 H17 Cl N2 O2 CNc1ccc(c(....
27 5Y0F Ki = 0.21 uM 8JO C18 H14 F N O5 S COc1ccc(c2....
28 6LJT Kd = 34.4 nM EH6 C19 H14 Cl N O2 c1ccc(cc1)....
29 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
30 5Y12 Ki = 0.59 uM 8JX C16 H19 N O5 S COc1ccc(c2....
31 6LJS Kd = 110.6 nM EHR C19 H15 N O2 c1ccc(cc1)....
32 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
33 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
34 6LJV Kd = 37.4 nM EHC C21 H16 Cl N O3 c1ccc(c(c1....
35 5Y0X Ki = 7.75 uM 8JR C18 H14 F N O5 S COc1ccc(c2....
36 5Y0G Ki = 0.2 uM 8JL C18 H14 F N O5 S COc1ccc(c2....
37 5Y13 Ki = 1.16 uM 8K0 C15 H16 Br N O4 S c1ccc2c(c1....
38 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
39 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
40 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
41 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
42 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
43 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
44 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
45 4WBK - STE C18 H36 O2 CCCCCCCCCC....
46 3WVM - STE C18 H36 O2 CCCCCCCCCC....
47 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
48 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
49 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
50 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
51 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
52 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
53 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
54 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
55 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
56 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
57 6EW4 - PLM C16 H32 O2 CCCCCCCCCC....
58 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
59 6XU5 - PLM C16 H32 O2 CCCCCCCCCC....
60 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
61 6XVQ - PLM C16 H32 O2 CCCCCCCCCC....
62 6XVY - PLM C16 H32 O2 CCCCCCCCCC....
63 6EW2 - PLM C16 H32 O2 CCCCCCCCCC....
64 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
65 6XVR - PLM C16 H32 O2 CCCCCCCCCC....
66 6EW5 - PLM C16 H32 O2 CCCCCCCCCC....
67 6XUA - PLM C16 H32 O2 CCCCCCCCCC....
68 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
69 6S2M - PLM C16 H32 O2 CCCCCCCCCC....
70 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
71 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
72 6S2S - PLM C16 H32 O2 CCCCCCCCCC....
73 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
74 6XUW - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (133)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 5L8O - CHD C24 H40 O5 C[C@H](CCC....
22 5L8N Kd = 31 uM 6RQ C9 H11 N3 Cc1cc2c(cc....
23 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
24 5HZ5 Ki = 0.086 uM 65X C21 H19 Cl N6 c1ccc(cc1)....
25 5UR9 Ki = 0.9 uM 8KS C28 H22 O4 c1ccc(cc1)....
26 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
27 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
28 6LJW - EHO C13 H11 N O2 c1ccc(cc1)....
29 6LJX Ki = 50690.3 nM EHO C13 H11 N O2 c1ccc(cc1)....
30 6LJU Kd = 60.1 nM EHU C20 H17 Cl N2 O2 CNc1ccc(c(....
31 5Y0F Ki = 0.21 uM 8JO C18 H14 F N O5 S COc1ccc(c2....
32 6LJT Kd = 34.4 nM EH6 C19 H14 Cl N O2 c1ccc(cc1)....
33 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
34 5Y12 Ki = 0.59 uM 8JX C16 H19 N O5 S COc1ccc(c2....
35 6LJS Kd = 110.6 nM EHR C19 H15 N O2 c1ccc(cc1)....
36 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
37 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
38 6LJV Kd = 37.4 nM EHC C21 H16 Cl N O3 c1ccc(c(c1....
39 5Y0X Ki = 7.75 uM 8JR C18 H14 F N O5 S COc1ccc(c2....
40 5Y0G Ki = 0.2 uM 8JL C18 H14 F N O5 S COc1ccc(c2....
41 5Y13 Ki = 1.16 uM 8K0 C15 H16 Br N O4 S c1ccc2c(c1....
42 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
43 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
44 2G78 - REA C20 H28 O2 CC1=C(C(CC....
45 2CBS ic50 = 6 nM R13 C23 H30 O2 CC(=C/C(=O....
46 1CBS - REA C20 H28 O2 CC1=C(C(CC....
47 2FR3 Kd = 2 nM REA C20 H28 O2 CC1=C(C(CC....
48 3CWK Kd = 250 nM REA C20 H28 O2 CC1=C(C(CC....
49 3CBS ic50 = 58 nM R12 C20 H24 O3 Cc1cc(c(c(....
50 2G79 Kd = 120 nM RET C20 H28 O CC1=C(C(CC....
51 2G7B - AZE C20 H30 CC=C(/C)C=....
52 6MOR - RET C20 H28 O CC1=C(C(CC....
53 1CBQ - RE9 C20 H28 O2 CC(=C/C(=O....
54 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
55 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
56 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
57 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
58 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
59 4WBK - STE C18 H36 O2 CCCCCCCCCC....
60 3WVM - STE C18 H36 O2 CCCCCCCCCC....
61 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
62 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
63 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
64 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
65 3VG3 - PLM C16 H32 O2 CCCCCCCCCC....
66 3B2H - PLM C16 H32 O2 CCCCCCCCCC....
67 3B2K - PLM C16 H32 O2 CCCCCCCCCC....
68 3VG6 - PLM C16 H32 O2 CCCCCCCCCC....
69 3VG5 - PLM C16 H32 O2 CCCCCCCCCC....
70 3VG7 - PLM C16 H32 O2 CCCCCCCCCC....
71 3STM - PLM C16 H32 O2 CCCCCCCCCC....
72 3VG2 - PLM C16 H32 O2 CCCCCCCCCC....
73 3B2I - PLM C16 H32 O2 CCCCCCCCCC....
74 3B2L - PLM C16 H32 O2 CCCCCCCCCC....
75 3B2J - PLM C16 H32 O2 CCCCCCCCCC....
76 3VG4 - PLM C16 H32 O2 CCCCCCCCCC....
77 6E6K - HVD C21 H30 O2 CCCCCc1cc(....
78 1OPB Kd = 50 nM RET C20 H28 O CC1=C(C(CC....
79 6E5W - HVD C21 H30 O2 CCCCCc1cc(....
80 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
81 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
82 2QO4 - CHD C24 H40 O5 C[C@H](CCC....
83 2QO6 - CHD C24 H40 O5 C[C@H](CCC....
84 2QO5 - CHD C24 H40 O5 C[C@H](CCC....
85 1TW4 - CHD C24 H40 O5 C[C@H](CCC....
86 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
87 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
88 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
89 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
90 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
91 5LJG - PLM C16 H32 O2 CCCCCCCCCC....
92 6E6M Ki = 1662 nM 8CB C17 H22 O2 Cc1cc(c(c(....
93 6E5L Ki = 76.3 nM HVD C21 H30 O2 CCCCCc1cc(....
94 5LJC Kd = 65 nM RTL C20 H30 O CC1=C(C(CC....
95 5HBS Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
96 6E5T Ki = 236.3 nM HVJ C17 H22 O2 Cc1cc(cc(c....
97 5H8T Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
98 5LJE Kd = 250 nM RTL C20 H30 O CC1=C(C(CC....
99 5LJD Kd = 70 nM RTL C20 H30 O CC1=C(C(CC....
100 5LJB Kd = 4.5 nM RTL C20 H30 O CC1=C(C(CC....
101 1CRB - RTL C20 H30 O CC1=C(C(CC....
102 5HA1 Kd = 64.1 nM RNE C20 H31 N CC1=C(C(CC....
103 4QZU Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
104 4QYN Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
105 2RCT - RTL C20 H30 O CC1=C(C(CC....
106 4QZT Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
107 1VYF Kd = 9 nM OLA C18 H34 O2 CCCCCCCCC=....
108 1VYG Kd = 10 nM ACD C20 H32 O2 CCCCCC=C/C....
109 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
110 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
111 1ICM - MYR C14 H28 O2 CCCCCCCCCC....
112 1ICN - OLA C18 H34 O2 CCCCCCCCC=....
113 2IFB Ki = 3.6 uM PLM C16 H32 O2 CCCCCCCCCC....
114 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
115 6EW4 - PLM C16 H32 O2 CCCCCCCCCC....
116 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
117 6XU5 - PLM C16 H32 O2 CCCCCCCCCC....
118 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
119 6XVQ - PLM C16 H32 O2 CCCCCCCCCC....
120 6XVY - PLM C16 H32 O2 CCCCCCCCCC....
121 6EW2 - PLM C16 H32 O2 CCCCCCCCCC....
122 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
123 6XVR - PLM C16 H32 O2 CCCCCCCCCC....
124 6EW5 - PLM C16 H32 O2 CCCCCCCCCC....
125 6XUA - PLM C16 H32 O2 CCCCCCCCCC....
126 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
127 6S2M - PLM C16 H32 O2 CCCCCCCCCC....
128 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
129 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
130 6S2S - PLM C16 H32 O2 CCCCCCCCCC....
131 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
132 6XUW - PLM C16 H32 O2 CCCCCCCCCC....
133 1KQW - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACD; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 ACD 1 1
2 EPA 0.725 0.869565
3 EIC 0.714286 1
4 LM8 0.68 0.958333
5 OCR 0.584906 0.884615
6 LNL 0.574468 0.913043
7 1AG 0.54717 0.647059
8 EAH 0.491525 0.884615
9 ELA 0.488889 0.956522
10 VCA 0.488889 0.956522
11 NER 0.488889 0.956522
12 PAM 0.488889 0.956522
13 OLA 0.488889 0.956522
14 HXA 0.466667 0.782609
15 MYZ 0.466667 0.913043
16 DJ3 0.460317 0.741935
17 ODD 0.458333 1
18 PTG 0.411765 0.69697
19 6NA 0.410256 0.826087
20 LEA 0.405405 0.73913
21 SHV 0.4 0.869565
Ligand no: 2; Ligand: PPI; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 PPI 1 1
2 2KT 0.5625 0.625
3 BUA 0.5625 0.785714
4 SMB 0.5 0.642857
5 LEA 0.473684 0.647059
6 AAE 0.470588 0.625
7 BXA 0.466667 0.642857
8 R3W 0.466667 0.642857
9 FAH 0.466667 0.642857
10 ACY 0.461538 0.636364
11 IVA 0.444444 0.714286
12 39J 0.4 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: ACD; Similar ligands found: 1
No: Ligand Similarity coefficient
1 STE 0.8862
Ligand no: 2; Ligand: PPI; Similar ligands found: 244
No: Ligand Similarity coefficient
1 GLV 1.0261
2 J3K 1.0000
3 NMU 1.0000
4 MGX 1.0000
5 NHY 1.0000
6 AGU 1.0000
7 2A3 1.0000
8 HAE 1.0000
9 1BP 1.0000
10 2A1 1.0000
11 61G 1.0000
12 TSZ 1.0000
13 F50 1.0000
14 ATO 1.0000
15 HVB 1.0000
16 AKR 1.0000
17 GLY 1.0000
18 NIE 1.0000
19 F3V 1.0000
20 GOA 1.0000
21 ALA 0.9988
22 PXO 0.9906
23 CP2 0.9887
24 BRP 0.9886
25 BU4 0.9808
26 AOA 0.9784
27 GOL 0.9761
28 GXV 0.9761
29 BAL 0.9749
30 TCV 0.9745
31 3OH 0.9741
32 PYR 0.9734
33 PYM 0.9729
34 2OP 0.9725
35 BUO 0.9721
36 OXM 0.9720
37 LAC 0.9715
38 OXL 0.9705
39 NIS 0.9697
40 SAR 0.9694
41 EGD 0.9688
42 HBS 0.9670
43 HGY 0.9664
44 9A4 0.9663
45 NAK 0.9662
46 2AI 0.9645
47 HBR 0.9640
48 BMD 0.9636
49 OXD 0.9626
50 DAL 0.9624
51 3TR 0.9623
52 6SP 0.9617
53 BUQ 0.9611
54 4MZ 0.9607
55 1MZ 0.9604
56 1CB 0.9602
57 HOW 0.9600
58 MEU 0.9599
59 MR3 0.9593
60 5MP 0.9590
61 2MZ 0.9590
62 3GR 0.9583
63 ALQ 0.9566
64 MTG 0.9559
65 GBL 0.9557
66 BAQ 0.9554
67 3MT 0.9550
68 5KX 0.9545
69 MZY 0.9537
70 ABA 0.9536
71 BEF 0.9535
72 EDO 0.9524
73 OSM 0.9511
74 CYS 0.9510
75 JZ6 0.9503
76 2PO 0.9503
77 CRD 0.9503
78 AF3 0.9502
79 2HA 0.9502
80 ACT 0.9500
81 IPA 0.9496
82 BUB 0.9490
83 MMU 0.9490
84 78T 0.9489
85 5Y9 0.9488
86 ACM 0.9483
87 ATQ 0.9477
88 NOE 0.9471
89 SEY 0.9461
90 3ZS 0.9455
91 AMT 0.9444
92 AXO 0.9443
93 SLP 0.9437
94 3CL 0.9435
95 BYZ 0.9425
96 ES3 0.9424
97 ALF 0.9405
98 BRJ 0.9403
99 XAP 0.9399
100 13D 0.9381
101 3BB 0.9379
102 QPT 0.9378
103 PYZ 0.9373
104 ITU 0.9370
105 TF4 0.9363
106 9A7 0.9362
107 CNH 0.9353
108 ETF 0.9350
109 BXO 0.9312
110 TRI 0.9297
111 TAN 0.9294
112 TB0 0.9290
113 PZO 0.9280
114 D2P 0.9277
115 3BR 0.9273
116 HSW 0.9266
117 VSO 0.9261
118 MZ0 0.9250
119 HUH 0.9250
120 0CL 0.9241
121 MSF 0.9237
122 THR 0.9231
123 IMD 0.9230
124 KCS 0.9229
125 DE2 0.9229
126 SER 0.9216
127 FW5 0.9192
128 03S 0.9191
129 2HP 0.9185
130 MMQ 0.9180
131 NVI 0.9165
132 MTD 0.9158
133 PRI 0.9153
134 DGY 0.9151
135 03W 0.9151
136 HYN 0.9143
137 GB 0.9134
138 TMO 0.9131
139 1AC 0.9129
140 7EX 0.9128
141 DSN 0.9126
142 FUS 0.9120
143 2RA 0.9119
144 XIX 0.9115
145 FJO 0.9113
146 BVG 0.9110
147 CEJ 0.9108
148 3PY 0.9105
149 0PY 0.9097
150 DXX 0.9095
151 KG7 0.9095
152 A3B 0.9095
153 DBB 0.9095
154 HIU 0.9094
155 FPO 0.9092
156 BVC 0.9085
157 DCE 0.9082
158 MB3 0.9078
159 HUI 0.9077
160 2EZ 0.9075
161 B20 0.9063
162 MCH 0.9060
163 TBU 0.9060
164 CHT 0.9056
165 L60 0.9043
166 A2Q 0.9043
167 1SP 0.9040
168 BNZ 0.9037
169 25T 0.9030
170 CYH 0.9024
171 CXL 0.9024
172 PHZ 0.9023
173 P1R 0.9020
174 C2N 0.9018
175 VN4 0.9017
176 24T 0.9016
177 8X3 0.9013
178 IPH 0.9012
179 2PA 0.9010
180 SGL 0.9007
181 HAI 0.9007
182 ETM 0.9005
183 PUT 0.9002
184 XPO 0.9000
185 BF4 0.8993
186 BTL 0.8993
187 PO4 0.8990
188 HSL 0.8989
189 4AP 0.8989
190 ETX 0.8978
191 C5J 0.8978
192 MBN 0.8969
193 4AX 0.8968
194 HVQ 0.8963
195 ISU 0.8959
196 2IM 0.8952
197 DSS 0.8943
198 WO6 0.8940
199 TAU 0.8937
200 DCY 0.8937
201 DTI 0.8936
202 KSW 0.8934
203 E60 0.8928
204 MMZ 0.8926
205 93B 0.8924
206 1DH 0.8922
207 MLA 0.8919
208 3AP 0.8918
209 V1L 0.8915
210 HV2 0.8914
211 9XN 0.8914
212 MLI 0.8911
213 9PO 0.8910
214 TAY 0.8905
215 LGA 0.8902
216 2HE 0.8902
217 DMG 0.8896
218 HVK 0.8894
219 2AP 0.8894
220 8FH 0.8893
221 3HL 0.8893
222 8CL 0.8890
223 MLM 0.8886
224 3HR 0.8878
225 COM 0.8877
226 HLT 0.8875
227 HRZ 0.8871
228 PPF 0.8869
229 POA 0.8869
230 GXE 0.8862
231 WOT 0.8847
232 HHN 0.8836
233 PIH 0.8825
234 ART 0.8810
235 9SB 0.8802
236 TTO 0.8799
237 P7I 0.8797
238 DMI 0.8793
239 HGW 0.8738
240 PEJ 0.8722
241 EFS 0.8662
242 P2D 0.8654
243 280 0.8608
244 3ZQ 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NNQ; Ligand: T4B; 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: 2nnq.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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