Receptor
PDB id Resolution Class Description Source Keywords
4M0F 2.3 Å EC: 3.1.1.7 STRUCTURE OF HUMAN ACETYLCHOLINESTERASE IN COMPLEX WITH TERR HOMO SAPIENS ACETYLCHOLINESTERASE HYDROLASE HYDROLASE-HYDROLASE INHIBITCOMPLEX
Ref.: STRUCTURES OF HUMAN ACETYLCHOLINESTERASE BOUND TO DIHYDROTANSHINONE I AND TERRITREM B SHOW PERIPHERAL FLEXIBILITY. ACS MED CHEM LETT V. 4 1091 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUC NAG NAG B:601;
A:601;
Invalid;
Invalid;
none;
none;
submit data
n/a n/a
EDO B:606;
A:606;
A:605;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NO3 B:607;
B:608;
Invalid;
Invalid;
none;
none;
submit data
62.005 N O3 [N+](...
1YK A:604;
B:605;
Valid;
Valid;
none;
none;
Ki = 1.7 nM
526.575 C29 H34 O9 C[C@@...
NAG B:604;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M0F 2.3 Å EC: 3.1.1.7 STRUCTURE OF HUMAN ACETYLCHOLINESTERASE IN COMPLEX WITH TERR HOMO SAPIENS ACETYLCHOLINESTERASE HYDROLASE HYDROLASE-HYDROLASE INHIBITCOMPLEX
Ref.: STRUCTURES OF HUMAN ACETYLCHOLINESTERASE BOUND TO DIHYDROTANSHINONE I AND TERRITREM B SHOW PERIPHERAL FLEXIBILITY. ACS MED CHEM LETT V. 4 1091 2013
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4EY5 - HUP C15 H18 N2 O C/C=C/1[C@....
2 6O4X - AA C13 H11 N2 c1ccc2c(c1....
3 4EY7 - E20 C24 H29 N O3 COc1cc2c(c....
4 4M0E Ki = 0.7 uM 1YL C18 H14 O3 Cc1cccc2c1....
5 6O66 - LND C13 H16 N5 O2 c1c[n+](cc....
6 6O50 - EBW C27 H38 N2 O C[N+](C)(C....
7 5HF9 - HI6 C14 H16 N4 O3 c1cc[n+](c....
8 5HFA - FP1 C7 H10 N2 O CN1C=CC=C/....
9 6O5V - LND C13 H16 N5 O2 c1c[n+](cc....
10 4EY6 - GNT C17 H21 N O3 C[N@@]1CC[....
11 6CQY - VX C3 H9 O3 P CCO[P@](=O....
12 6NEA - HLO C15 H17 N5 O4 c1c[n+](cc....
13 4M0F Ki = 1.7 nM 1YK C29 H34 O9 C[C@@]12CC....
14 6CQW Kd = 0.00000145 M HI6 C14 H16 N4 O3 c1cc[n+](c....
15 6O4W - E20 C24 H29 N O3 COc1cc2c(c....
16 6CQU - HI6 C14 H16 N4 O3 c1cc[n+](c....
70% Homology Family (112)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6QAD ic50 = 14 nM HUZ C25 H40 N4 O CCCCN[C@@H....
2 4B0O Ki = 7.3 uM 15F C15 H14 Cl3 N2 O [H]/N=C(/C....
3 4B0P Ki = 44 uM MF5 C14 H10 F5 N2 O C[n+]1cccc....
4 6QAB ic50 = 6.2 nM HUQ C26 H42 N3 O CCCC[N+](C....
5 5NN0 ic50 = 0.00103 uM 92H C30 H37 N3 O CN(C)CCN(C....
6 6QAE ic50 = 3 nM HUK C26 H45 N3 CCCC[NH+](....
7 6I0B ic50 = 9.1 nM 9A5 C30 H36 Cl N5 O c1ccc2c(c1....
8 6EQQ - H19 C18 H21 Cl N3 c1cc2c(cc1....
9 6EQP Kd = 1.1 uM BUW C19 H24 N2 S CCN(CC)[C@....
10 5DYW ic50 = 4.9 nM 5HF C26 H32 N2 O3 S COCCN(C[C@....
11 1P0P - BCH C9 H20 N O S CCCC(=O)SC....
12 1P0M - CHT C5 H14 N O C[N+](C)(C....
13 6EP4 Ki = 4.5 uM DME C16 H38 N2 C[N+](C)(C....
14 4AQD - GLY C2 H5 N O2 C(C(=O)O)N
15 4BDS Ki = 25 nM THA C13 H14 N2 c1ccc2c(c1....
16 6QAA ic50 = 22 nM HUN C24 H38 N3 O CCCC[NH2+]....
17 1Q84 Ki = 8900 fM TZ4 C42 H45 N8 c1ccc(cc1)....
18 4ARB Kd = 1.3 uM C57 C17 H26 N4 O4 CCN1CCC[C@....
19 4ARA Kd = 0.9 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
20 4B80 ic50 = 40 uM A36 C13 H21 F N2 O2 S CCN(CC)CCN....
21 1N5R Ki = 2.2 uM PRM C27 H34 N4 CC[N+](C)(....
22 5EHZ Ki = 2.3 pM 5NZ C41 H43 N8 c1ccc(cc1)....
23 2HA6 - SCK C14 H30 N2 O4 C[N+](C)(C....
24 2JF0 - HBP C19 H26 N4 O2 c1cc[n+](c....
25 4B82 ic50 = 41 uM B3Z C12 H19 F N2 O2 S CCN(CC)CCN....
26 2GYU - HI6 C14 H16 N4 O3 c1cc[n+](c....
27 4B7Z ic50 = 49 uM Q4Q C14 H24 N2 O2 S CCN(CC)CCN....
28 2WHQ - HI6 C14 H16 N4 O3 c1cc[n+](c....
29 1J07 Ki = 0.021 uM DCU C32 H44 N4 C[N+](C)(C....
30 1N5M - GMN C30 H60 N3 O3 CC[N+](CC)....
31 3ZLV - HI6 C14 H16 N4 O3 c1cc[n+](c....
32 5FOQ - GC8 C20 H22 Cl2 N2 O2 c1cc(ccc1C....
33 2GYW - OBI C14 H16 N4 O3 c1c[n+](cc....
34 5FUM - SOF C25 H33 N3 O2 CCN1CCN(CC....
35 2HA0 Ki = 0.023 mM CHH C8 H18 N O CC(=O)CCC[....
36 5EIE Ki = 23000 pM TZ2 C15 H17 N5 c1ccc2c(c1....
37 4BTL ic50 = 2.5 uM 5GZ C18 H22 Cl N3 O5 S CCN(CC)CCN....
38 4B85 ic50 = 88 uM B3W C12 H19 Cl N2 O2 S CCN(CC)CCN....
39 5FPP Kd = 63 uM HI6 C14 H16 N4 O3 c1cc[n+](c....
40 2HA5 - AT3 C7 H16 N O S CC(=O)SCC[....
41 2GYV - HBP C19 H26 N4 O2 c1cc[n+](c....
42 5OV9 ic50 = 2.2 uM CVI C25 H30 N3 CN(C)c1ccc....
43 2HA2 Ki = 0.021 mM SCK C14 H30 N2 O4 C[N+](C)(C....
44 4B83 - B3V C13 H22 N2 O3 S CCN(CC)CCN....
45 4A23 ic50 = 1.3 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
46 2HA3 Kd = 0.93 mM CHT C5 H14 N O C[N+](C)(C....
47 2WU4 - HBP C19 H26 N4 O2 c1cc[n+](c....
48 1ODC - A8B C30 H36 N4 c1ccc2c(c1....
49 1UT6 - A8N C21 H33 N3 c1ccc2c(c1....
50 6H14 - FW8 C35 H35 N9 O2 c1ccc2c(c1....
51 1EVE ic50 = 5.7 nM E20 C24 H29 N O3 COc1cc2c(c....
52 1H23 Ki = 4.5 nM E12 C30 H46 N4 O2 C1C[C@@H](....
53 1QTI - GNT C17 H21 N O3 C[N@@]1CC[....
54 2C4H - AT3 C7 H16 N O S CC(=O)SCC[....
55 2CEK - N8T C34 H41 N3 S c1ccc2c(c1....
56 2CMF - F11 C31 H36 N4 c1ccc2c(c1....
57 6EZG - C6K C24 H27 Cl N2 O2 COc1c2cc[n....
58 2V97 Ki ~ 20 nM CFQ C13 H19 As F3 N O3 C[As+](C)(....
59 1VOT Ki = 250 nM HUP C15 H18 N2 O C/C=C/1[C@....
60 1GPK Ki = 4.3 uM HUP C15 H18 N2 O C/C=C/1[C@....
61 6H12 - FJK C37 H41 N9 O3 c1cc2c(c(c....
62 2WG1 - FP1 C7 H10 N2 O CN1C=CC=C/....
63 4TVK - TJH C25 H22 Cl N3 O3 c1cc2c(c(c....
64 2VJB - CCD C8 H20 N O C[C@H](CCC....
65 3I6Z - G6X C29 H34 N2 O6 S COc1ccc2c3....
66 2ACK - EDR C10 H16 N O CC[N+](C)(....
67 2XI4 - AFT C17 H12 O6 COc1cc2c(c....
68 5E4T Ki = 40 nM MBT C16 H18 N3 S CN(C)c1ccc....
69 2C58 - ETM C5 H14 N S C[N+](C)(C....
70 2VJC - CHH C8 H18 N O CC(=O)CCC[....
71 6G1W - E0Z C27 H25 Cl N6 O3 COc1cc(ccc....
72 5NAP Ki = 11.12 nM DZ7 C24 H27 N O3 COc1cc2c(c....
73 1H22 Ki = 0.8 nM E10 C28 H42 N4 O2 C1C[C@@H](....
74 5BWC Ki = 0.061 uM HBP C19 H26 N4 O2 c1cc[n+](c....
75 1GQR - SAF C10 H15 N O C[C@@H](c1....
76 1DX6 ic50 = 652 nM GNT C17 H21 N O3 C[N@@]1CC[....
77 2VJD - CCD C8 H20 N O C[C@H](CCC....
78 2V96 Ki = 29 uM CFQ C13 H19 As F3 N O3 C[As+](C)(....
79 5NAU Ki = 29.86 nM DZ0 C23 H25 N O2 COc1ccc2c(....
80 2VJA - CCD C8 H20 N O C[C@H](CCC....
81 1GPN Ki = 0.334 uM HUB C16 H20 N2 O CC1=C[C@H]....
82 6G1U - E1K C14 H16 Cl N2 C[n+]1c2cc....
83 1JJB - PE7 C14 H30 O7 S C(COCCOCCO....
84 6FQN - E2W C23 H27 Cl N4 O2 c1cc2c(cc1....
85 1E66 Ki = 0.13 nM HUX C18 H19 Cl N2 CCC1=C[C@@....
86 1ZGC ic50 = 38.8 nM A2E C32 H44 N4 O c1ccc2c(c1....
87 3I6M - G3X C24 H34 N2 O3 COc1ccc2c3....
88 6FLD - NAG C8 H15 N O6 CC(=O)N[C@....
89 6G1V - E1N C19 H22 Cl N2 CCC1=C[C@@....
90 1ZGB ic50 = 8.8 nM A1E C32 H44 N4 O c1ccc2c(c1....
91 1W4L ic50 = 4 nM GL8 C32 H37 N2 O5 COc1ccc2c3....
92 2C5G - ETM C5 H14 N S C[N+](C)(C....
93 3ZV7 - NHG C11 H14 N2 O C[C@@]12CC....
94 2CKM Kd = 77 fM AA7 C33 H40 N4 c1ccc2c(c1....
95 1W76 ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
96 1W6R ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
97 4EY5 - HUP C15 H18 N2 O C/C=C/1[C@....
98 6O4X - AA C13 H11 N2 c1ccc2c(c1....
99 4EY7 - E20 C24 H29 N O3 COc1cc2c(c....
100 4M0E Ki = 0.7 uM 1YL C18 H14 O3 Cc1cccc2c1....
101 6O66 - LND C13 H16 N5 O2 c1c[n+](cc....
102 6O50 - EBW C27 H38 N2 O C[N+](C)(C....
103 5HF9 - HI6 C14 H16 N4 O3 c1cc[n+](c....
104 5HFA - FP1 C7 H10 N2 O CN1C=CC=C/....
105 6O5V - LND C13 H16 N5 O2 c1c[n+](cc....
106 4EY6 - GNT C17 H21 N O3 C[N@@]1CC[....
107 6CQY - VX C3 H9 O3 P CCO[P@](=O....
108 6NEA - HLO C15 H17 N5 O4 c1c[n+](cc....
109 4M0F Ki = 1.7 nM 1YK C29 H34 O9 C[C@@]12CC....
110 6CQW Kd = 0.00000145 M HI6 C14 H16 N4 O3 c1cc[n+](c....
111 6O4W - E20 C24 H29 N O3 COc1cc2c(c....
112 6CQU - HI6 C14 H16 N4 O3 c1cc[n+](c....
50% Homology Family (118)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6QAD ic50 = 14 nM HUZ C25 H40 N4 O CCCCN[C@@H....
2 4B0O Ki = 7.3 uM 15F C15 H14 Cl3 N2 O [H]/N=C(/C....
3 4B0P Ki = 44 uM MF5 C14 H10 F5 N2 O C[n+]1cccc....
4 6QAB ic50 = 6.2 nM HUQ C26 H42 N3 O CCCC[N+](C....
5 5NN0 ic50 = 0.00103 uM 92H C30 H37 N3 O CN(C)CCN(C....
6 6QAE ic50 = 3 nM HUK C26 H45 N3 CCCC[NH+](....
7 6I0B ic50 = 9.1 nM 9A5 C30 H36 Cl N5 O c1ccc2c(c1....
8 6EQQ - H19 C18 H21 Cl N3 c1cc2c(cc1....
9 6EQP Kd = 1.1 uM BUW C19 H24 N2 S CCN(CC)[C@....
10 5DYW ic50 = 4.9 nM 5HF C26 H32 N2 O3 S COCCN(C[C@....
11 1P0P - BCH C9 H20 N O S CCCC(=O)SC....
12 1P0M - CHT C5 H14 N O C[N+](C)(C....
13 6EP4 Ki = 4.5 uM DME C16 H38 N2 C[N+](C)(C....
14 4AQD - GLY C2 H5 N O2 C(C(=O)O)N
15 4BDS Ki = 25 nM THA C13 H14 N2 c1ccc2c(c1....
16 6QAA ic50 = 22 nM HUN C24 H38 N3 O CCCC[NH2+]....
17 5EHQ Ki = 33 pM 5O2 C41 H43 N8 c1ccc(cc1)....
18 1Q84 Ki = 8900 fM TZ4 C42 H45 N8 c1ccc(cc1)....
19 4ARB Kd = 1.3 uM C57 C17 H26 N4 O4 CCN1CCC[C@....
20 4ARA Kd = 0.9 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
21 4B80 ic50 = 40 uM A36 C13 H21 F N2 O2 S CCN(CC)CCN....
22 1N5R Ki = 2.2 uM PRM C27 H34 N4 CC[N+](C)(....
23 5EHZ Ki = 2.3 pM 5NZ C41 H43 N8 c1ccc(cc1)....
24 2HA6 - SCK C14 H30 N2 O4 C[N+](C)(C....
25 2JF0 - HBP C19 H26 N4 O2 c1cc[n+](c....
26 4B82 ic50 = 41 uM B3Z C12 H19 F N2 O2 S CCN(CC)CCN....
27 2GYU - HI6 C14 H16 N4 O3 c1cc[n+](c....
28 4B7Z ic50 = 49 uM Q4Q C14 H24 N2 O2 S CCN(CC)CCN....
29 2WHQ - HI6 C14 H16 N4 O3 c1cc[n+](c....
30 1J07 Ki = 0.021 uM DCU C32 H44 N4 C[N+](C)(C....
31 1N5M - GMN C30 H60 N3 O3 CC[N+](CC)....
32 3ZLV - HI6 C14 H16 N4 O3 c1cc[n+](c....
33 5FOQ - GC8 C20 H22 Cl2 N2 O2 c1cc(ccc1C....
34 2GYW - OBI C14 H16 N4 O3 c1c[n+](cc....
35 5FUM - SOF C25 H33 N3 O2 CCN1CCN(CC....
36 2HA0 Ki = 0.023 mM CHH C8 H18 N O CC(=O)CCC[....
37 5EIE Ki = 23000 pM TZ2 C15 H17 N5 c1ccc2c(c1....
38 4BTL ic50 = 2.5 uM 5GZ C18 H22 Cl N3 O5 S CCN(CC)CCN....
39 4B85 ic50 = 88 uM B3W C12 H19 Cl N2 O2 S CCN(CC)CCN....
40 5FPP Kd = 63 uM HI6 C14 H16 N4 O3 c1cc[n+](c....
41 2HA5 - AT3 C7 H16 N O S CC(=O)SCC[....
42 2GYV - HBP C19 H26 N4 O2 c1cc[n+](c....
43 5OV9 ic50 = 2.2 uM CVI C25 H30 N3 CN(C)c1ccc....
44 2HA2 Ki = 0.021 mM SCK C14 H30 N2 O4 C[N+](C)(C....
45 4B83 - B3V C13 H22 N2 O3 S CCN(CC)CCN....
46 4A23 ic50 = 1.3 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
47 2HA3 Kd = 0.93 mM CHT C5 H14 N O C[N+](C)(C....
48 2WU4 - HBP C19 H26 N4 O2 c1cc[n+](c....
49 1ODC - A8B C30 H36 N4 c1ccc2c(c1....
50 1UT6 - A8N C21 H33 N3 c1ccc2c(c1....
51 6H14 - FW8 C35 H35 N9 O2 c1ccc2c(c1....
52 1EVE ic50 = 5.7 nM E20 C24 H29 N O3 COc1cc2c(c....
53 1H23 Ki = 4.5 nM E12 C30 H46 N4 O2 C1C[C@@H](....
54 1QTI - GNT C17 H21 N O3 C[N@@]1CC[....
55 2C4H - AT3 C7 H16 N O S CC(=O)SCC[....
56 2CEK - N8T C34 H41 N3 S c1ccc2c(c1....
57 2CMF - F11 C31 H36 N4 c1ccc2c(c1....
58 6EZG - C6K C24 H27 Cl N2 O2 COc1c2cc[n....
59 2V97 Ki ~ 20 nM CFQ C13 H19 As F3 N O3 C[As+](C)(....
60 1VOT Ki = 250 nM HUP C15 H18 N2 O C/C=C/1[C@....
61 1GPK Ki = 4.3 uM HUP C15 H18 N2 O C/C=C/1[C@....
62 6H12 - FJK C37 H41 N9 O3 c1cc2c(c(c....
63 2WG1 - FP1 C7 H10 N2 O CN1C=CC=C/....
64 4TVK - TJH C25 H22 Cl N3 O3 c1cc2c(c(c....
65 2VJB - CCD C8 H20 N O C[C@H](CCC....
66 3I6Z - G6X C29 H34 N2 O6 S COc1ccc2c3....
67 2ACK - EDR C10 H16 N O CC[N+](C)(....
68 2XI4 - AFT C17 H12 O6 COc1cc2c(c....
69 5E4T Ki = 40 nM MBT C16 H18 N3 S CN(C)c1ccc....
70 2C58 - ETM C5 H14 N S C[N+](C)(C....
71 2VJC - CHH C8 H18 N O CC(=O)CCC[....
72 6G1W - E0Z C27 H25 Cl N6 O3 COc1cc(ccc....
73 5NAP Ki = 11.12 nM DZ7 C24 H27 N O3 COc1cc2c(c....
74 1H22 Ki = 0.8 nM E10 C28 H42 N4 O2 C1C[C@@H](....
75 5BWC Ki = 0.061 uM HBP C19 H26 N4 O2 c1cc[n+](c....
76 1GQR - SAF C10 H15 N O C[C@@H](c1....
77 1DX6 ic50 = 652 nM GNT C17 H21 N O3 C[N@@]1CC[....
78 2VJD - CCD C8 H20 N O C[C@H](CCC....
79 2V96 Ki = 29 uM CFQ C13 H19 As F3 N O3 C[As+](C)(....
80 5NAU Ki = 29.86 nM DZ0 C23 H25 N O2 COc1ccc2c(....
81 2VJA - CCD C8 H20 N O C[C@H](CCC....
82 1GPN Ki = 0.334 uM HUB C16 H20 N2 O CC1=C[C@H]....
83 6G1U - E1K C14 H16 Cl N2 C[n+]1c2cc....
84 1JJB - PE7 C14 H30 O7 S C(COCCOCCO....
85 6FQN - E2W C23 H27 Cl N4 O2 c1cc2c(cc1....
86 1E66 Ki = 0.13 nM HUX C18 H19 Cl N2 CCC1=C[C@@....
87 1ZGC ic50 = 38.8 nM A2E C32 H44 N4 O c1ccc2c(c1....
88 3I6M - G3X C24 H34 N2 O3 COc1ccc2c3....
89 6FLD - NAG C8 H15 N O6 CC(=O)N[C@....
90 6G1V - E1N C19 H22 Cl N2 CCC1=C[C@@....
91 1ZGB ic50 = 8.8 nM A1E C32 H44 N4 O c1ccc2c(c1....
92 1W4L ic50 = 4 nM GL8 C32 H37 N2 O5 COc1ccc2c3....
93 2C5G - ETM C5 H14 N S C[N+](C)(C....
94 3ZV7 - NHG C11 H14 N2 O C[C@@]12CC....
95 2CKM Kd = 77 fM AA7 C33 H40 N4 c1ccc2c(c1....
96 1W76 ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
97 1W6R ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
98 1MX1 - THA C13 H14 N2 c1ccc2c(c1....
99 2H7C - SIA C11 H19 N O9 CC(=O)N[C@....
100 1K4Y - 4PN C10 H20 N2 C1CCN(CC1)....
101 4EY5 - HUP C15 H18 N2 O C/C=C/1[C@....
102 6O4X - AA C13 H11 N2 c1ccc2c(c1....
103 4EY7 - E20 C24 H29 N O3 COc1cc2c(c....
104 4M0E Ki = 0.7 uM 1YL C18 H14 O3 Cc1cccc2c1....
105 6O66 - LND C13 H16 N5 O2 c1c[n+](cc....
106 6O50 - EBW C27 H38 N2 O C[N+](C)(C....
107 5HF9 - HI6 C14 H16 N4 O3 c1cc[n+](c....
108 5HFA - FP1 C7 H10 N2 O CN1C=CC=C/....
109 6O5V - LND C13 H16 N5 O2 c1c[n+](cc....
110 4EY6 - GNT C17 H21 N O3 C[N@@]1CC[....
111 6CQY - VX C3 H9 O3 P CCO[P@](=O....
112 6NEA - HLO C15 H17 N5 O4 c1c[n+](cc....
113 4M0F Ki = 1.7 nM 1YK C29 H34 O9 C[C@@]12CC....
114 6CQW Kd = 0.00000145 M HI6 C14 H16 N4 O3 c1cc[n+](c....
115 6O4W - E20 C24 H29 N O3 COc1cc2c(c....
116 6CQU - HI6 C14 H16 N4 O3 c1cc[n+](c....
117 6ARX - FLC C6 H5 O7 C(C(=O)[O-....
118 6ARY - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1YK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1YK 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M0F; Ligand: 1YK; 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: 4m0f.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4M0F; Ligand: 1YK; 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: 4m0f.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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