Receptor
PDB id Resolution Class Description Source Keywords
6OVZ 2.02 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF THE NEW DELHI METALLO-BETA-LACTAMASE-1 WITH A LYSINE-TARGETED AFFINITY LABEL ESCHERICHIA COLI NDM-1 AFFINITY-LABEL COVALENT INHIBITOR HYDROLASE
Ref.: A LYSINE-TARGETED AFFINITY LABEL FOR SERINE-BETA-LA ALSO COVALENTLY MODIFIES NEW DELHI METALLO-BETA-LAC (NDM-1). BIOCHEMISTRY V. 58 2834 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:1003;
A:1001;
B:1002;
A:1002;
A:1003;
B:1001;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
CA B:1004;
A:1004;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
FMT B:1005;
 Invalid;
 none;
 submit data
46.025 C H2 O2 C(=O)...
N9M A:1005;
 Valid;
 none;
 submit data
211.171 C9 H9 N O5 c1ccc...
N9J B:1006;
 Valid;
 none;
 submit data
167.162 C8 H9 N O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6LJ1 1.15 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIV WSS02127 MONOMER KLEBSIELLA PNEUMONIAE NDM-1 METALLO-BETA-LACTAMASE ANTIBIOTIC RESISTENT INHIBITCOMPOUNDS ANTIBIOTIC HYDROLASE
Ref.: STRUCTURE-GUIDED OPTIMIZATION OF D-CAPTOPRIL FOR DI OF POTENT NDM-1 INHIBITORS. BIOORG.MED.CHEM. V. 29 15902 2020
Members (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
2 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
3 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
4 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
5 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
6 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
7 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
8 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
9 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
10 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
11 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
12 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
13 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
14 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
15 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
16 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
17 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
18 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
19 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
20 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
21 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
22 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
23 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
25 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
26 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
27 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
28 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
29 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
30 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
31 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
32 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
33 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
34 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
35 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
36 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
37 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
38 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
39 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
40 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
41 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
42 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
43 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
44 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
45 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
46 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
47 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
48 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
70% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
2 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
3 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
4 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
5 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
6 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
7 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
8 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
9 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
10 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
11 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
12 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
13 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
14 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
15 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
16 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
17 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
18 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
19 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
20 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
21 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
22 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
23 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
25 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
26 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
27 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
28 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
29 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
30 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
31 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
32 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
33 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
34 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
35 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
36 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
37 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
38 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
39 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
40 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
41 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
42 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
43 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
44 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
45 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
46 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
47 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
48 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
49 4EXS Ki = 39 uM X8Z C9 H15 N O3 S C[C@H](CS)....
50% Homology Family (108)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1HLK Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
2 1KR3 Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
3 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
4 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
5 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
6 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
7 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
8 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
9 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
10 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
11 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
12 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
13 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
14 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
15 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
16 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
17 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
18 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
19 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
20 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
21 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
22 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
23 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
25 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
26 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
27 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
28 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
29 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
30 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
31 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
32 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
33 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
34 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
35 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
36 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
37 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
38 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
39 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
40 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
41 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
42 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
43 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
44 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
45 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
46 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
47 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
48 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
49 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
50 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
51 5N4T ic50 = 1.06 uM R59 C15 H18 N2 O3 S C[C@H](CS)....
52 6DD0 Ki = 3.3 uM P9T C10 H7 F2 O5 P c1c(cc(c2c....
53 5Y6D ic50 = 54.8 nM 8PL C12 H14 F N O3 S C[C@H](CS)....
54 6RPN ic50 = 0.2 uM KDZ C16 H16 B O5 S [B-]1([C@H....
55 5FQC ic50 = 0.003 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
56 6TM9 ic50 = 0.23 uM 9NW C16 H21 Cl2 N5 O2 S c1cc(c(cc1....
57 5NI0 ic50 = 1.8 uM 8XW C14 H21 O4 P S CC(=O)SC[C....
58 5NHZ ic50 = 4.7 uM 8XZ C13 H19 O4 P S CC(=O)SC[C....
59 6JN6 Ki = 0.07 uM BY0 C14 H18 B N O4 S B([C@@H](C....
60 2WHG - FLC C6 H5 O7 C(C(=O)[O-....
61 5LCA ic50 = 32.8 uM B06 C16 H10 F3 N O3 c1cc(cc(c1....
62 6EW3 ic50 = 0.04 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
63 6O5T Ki = 0.316 uM L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
64 5LSC ic50 = 20 uM 752 C18 H13 N5 O3 S2 c1ccc(c(c1....
65 6HF5 ic50 = 6.7 uM G1N C9 H7 N3 O4 S2 c1cc(cnc1)....
66 5ACW Kd = 145 uM RHU C4 H4 F3 N3 S Cn1c(nnc1S....
67 5LM6 ic50 = 7.7 uM H32 C15 H10 F N O4 c1cc2c(c(c....
68 6TGI Ki = 41 uM N8Z C9 H12 Cl N5 S CCn1c(nnc1....
69 5Y6E ic50 = 13.7 nM 8PO C12 H15 N O4 S C[C@H](CS)....
70 5MXR ic50 = 6.2 uM JTY C10 H8 N2 O4 S2 c1ccc(cc1)....
71 6SP7 ic50 = 0.026 uM K9B C19 H29 B N3 O6 [B-]1([C@H....
72 5LCH ic50 = 20.3 uM 6TU C19 H17 N O4 COc1cccc(c....
73 5MXQ ic50 = 1.9 uM U8K C12 H10 N2 O4 S c1ccc(cc1)....
74 6J8R Ki = 0.76 uM BHU C5 H12 B N O3 S B(CNC(=O)[....
75 2YZ3 Ki = 220 nM M5P C12 H16 O2 S c1ccc(cc1)....
76 5MM9 ic50 = 0.38 uM 8SH C15 H25 O3 P S CCOP(=O)([....
77 6YRP Kd = 389 nM PJB C17 H16 N4 O4 S COc1ccc(c(....
78 6DD1 Ki = 22.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
79 6ZGM - QKK C12 H11 F2 N7 O5 S2 [H]/N=C(N)....
80 5ACX Kd = 9 uM WL3 C14 H9 F O3 c1ccc(c(c1....
81 5LCF ic50 = 17.8 uM 6TJ C15 H11 N O3 c1ccc(cc1)....
82 5N4S ic50 = 0.055 uM R38 C15 H18 N2 O3 S C[C@H](CS)....
83 6V1P - QNA C10 H9 B F O5 [B-]1([C@@....
84 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
85 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
86 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
87 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
88 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
89 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
90 5N55 Kd = 1.03 uM 8NN C21 H16 Cl N3 O4 c1ccc2c(c1....
91 5N58 Kd = 0.8 uM 93W C21 H16 Cl N3 O4 c1ccc2c(c1....
92 5LE1 ic50 = 10.6 uM 6UW C16 H11 Cl F N O3 c1cc2c(c(c....
93 6TMC ic50 = 0.53 uM NL5 C14 H19 N3 O3 S CC(C)OCc1c....
94 6R73 - LMP C17 H27 N3 O6 S C[C@H]1[C@....
95 6RZR - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
96 6RZS - LHT C22 H27 N3 O8 S C[C@@H]1[C....
97 5NDB - 8TW C7 H8 Cl2 O4 S C1=S[C@H]2....
98 1JJT ic50 = 0.009 uM BDS C20 H18 O8 c1cc2c(cc1....
99 5EV8 - 3R9 C7 H11 N O2 S3 C1[C@@H](N....
100 3WXC - C93 C13 H15 N O5 c1cc(c(c(c....
101 2DOO Kd = 67 nM C4H C19 H27 N3 O3 S2 CN(C)c1ccc....
102 4F6Z - FLC C6 H5 O7 C(C(=O)[O-....
103 1DD6 - MCI C19 H19 N5 O3 S2 c1ccc(cc1)....
104 5EWA Ki = 15 uM 9BZ C9 H15 N O2 S3 CC1([C@H](....
105 1JJE ic50 = 0.0037 uM BYS C19 H18 O6 c1ccc(cc1)....
106 4UAM - FLC C6 H5 O7 C(C(=O)[O-....
107 4EXS Ki = 39 uM X8Z C9 H15 N O3 S C[C@H](CS)....
108 1M2X Ki ~ 85 uM MCO C9 H15 N O3 S C[C@H](CS)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: N9M; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 N9M 1 1
2 N9J 0.590909 0.8
3 BBL 0.519231 0.725
4 NX6 0.518519 0.659091
5 PHQ ALA 0.462963 0.634146
6 PHQ DTH 0.45614 0.674419
7 LVD 0.408163 0.608696
Ligand no: 2; Ligand: N9J; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 N9J 1 1
2 N9M 0.590909 0.8
3 BBL 0.553191 0.625
4 FK8 0.552632 0.628571
5 LVD 0.431818 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: N9M; Similar ligands found: 290
No: Ligand Similarity coefficient
1 F63 0.9488
2 6C5 0.9386
3 ZE7 0.9370
4 KLE 0.9367
5 3S9 0.9360
6 6C8 0.9329
7 A7Q 0.9327
8 8CC 0.9312
9 BZM 0.9267
10 OJD 0.9265
11 HJD 0.9248
12 9AG 0.9236
13 3CX 0.9226
14 X6W 0.9225
15 JMG 0.9212
16 1Q1 0.9200
17 NK5 0.9198
18 0K7 0.9195
19 KPV 0.9193
20 SOJ 0.9190
21 0XR 0.9189
22 7KE 0.9187
23 5PV 0.9185
24 REG 0.9169
25 37E 0.9169
26 GOE 0.9160
27 9VQ 0.9157
28 0QA 0.9153
29 ZZA 0.9148
30 1XS 0.9146
31 381 0.9142
32 8YH 0.9142
33 5TO 0.9139
34 UN3 0.9137
35 G14 0.9133
36 6C4 0.9132
37 6FG 0.9129
38 KWV 0.9127
39 RA7 0.9117
40 S0A 0.9111
41 GJG 0.9108
42 3VR 0.9108
43 D25 0.9106
44 J1K 0.9105
45 TPM 0.9105
46 Q86 0.9103
47 D2G 0.9103
48 0NX 0.9099
49 EQW 0.9098
50 3GZ 0.9089
51 27K 0.9088
52 A98 0.9087
53 GGG 0.9082
54 LVP 0.9081
55 PZX 0.9080
56 D1G 0.9071
57 GHQ 0.9071
58 90G 0.9064
59 5H6 0.9058
60 4AU 0.9051
61 5NR 0.9048
62 FCW 0.9047
63 HL6 0.9041
64 4FP 0.9039
65 S0B 0.9036
66 L1T 0.9026
67 W1G 0.9026
68 0UL 0.9025
69 EYJ 0.9023
70 SB7 0.9016
71 KLS 0.9002
72 IAG 0.8994
73 S8P 0.8993
74 L15 0.8992
75 A9B 0.8991
76 TB8 0.8978
77 D8Q 0.8974
78 SNV 0.8971
79 GB5 0.8971
80 1Q2 0.8969
81 11X 0.8963
82 5C1 0.8960
83 3H2 0.8954
84 MMJ 0.8953
85 TCC 0.8950
86 28A 0.8948
87 848 0.8947
88 RDY 0.8946
89 4BX 0.8943
90 3VQ 0.8941
91 NFZ 0.8941
92 5TT 0.8940
93 BSA 0.8938
94 D26 0.8929
95 BVS 0.8929
96 JVD 0.8929
97 FHV 0.8924
98 TBJ 0.8924
99 8CV 0.8923
100 6C9 0.8918
101 0OM 0.8917
102 HHB 0.8912
103 IJ6 0.8911
104 N2Y 0.8909
105 5R8 0.8906
106 64Z 0.8905
107 CT0 0.8904
108 SX2 0.8901
109 HDI 0.8900
110 EEK 0.8899
111 JGY 0.8895
112 RPN 0.8890
113 4CF 0.8885
114 S0D 0.8885
115 DKA 0.8884
116 3IP 0.8884
117 A6Z 0.8880
118 OJM 0.8880
119 HRG 0.8878
120 SJR 0.8878
121 9VZ 0.8878
122 ALY 0.8876
123 DI9 0.8874
124 YE6 0.8871
125 9J6 0.8870
126 RKN 0.8868
127 LPA 0.8865
128 P1J 0.8863
129 M4N 0.8862
130 ERZ 0.8859
131 1EB 0.8859
132 ODK 0.8858
133 PQV 0.8858
134 MGB 0.8857
135 68B 0.8856
136 D53 0.8853
137 OLU 0.8853
138 RDV 0.8848
139 0OP 0.8844
140 2D2 0.8844
141 0O8 0.8843
142 5O6 0.8841
143 SWX 0.8840
144 HXY 0.8839
145 MKN 0.8836
146 ESJ 0.8834
147 3N0 0.8829
148 39R 0.8827
149 6N4 0.8825
150 NOT 0.8825
151 NAL 0.8821
152 36M 0.8816
153 PUE 0.8815
154 I2E 0.8806
155 TEG 0.8805
156 PHQ DAL 0.8804
157 0V7 0.8804
158 JPQ 0.8799
159 0NJ 0.8798
160 0MB 0.8797
161 L2K 0.8796
162 4AF 0.8796
163 613 0.8796
164 0ON 0.8794
165 RF2 0.8793
166 GLY GLY GLY 0.8790
167 856 0.8786
168 PBN 0.8785
169 K4T 0.8784
170 SAZ 0.8783
171 1N5 0.8783
172 RYY 0.8782
173 6P3 0.8781
174 AHL 0.8779
175 FMQ 0.8779
176 FF2 0.8779
177 IJ1 0.8778
178 ALA ALA ALA 0.8777
179 7XA 0.8775
180 LR2 0.8773
181 WA1 0.8772
182 2P3 0.8771
183 KNA 0.8769
184 HPX 0.8766
185 PQT 0.8763
186 XOG 0.8761
187 ZYC 0.8758
188 JCZ 0.8757
189 NNH 0.8756
190 B41 0.8753
191 ZEA 0.8752
192 DTB 0.8750
193 PCS 0.8747
194 XRS 0.8747
195 GT4 0.8745
196 7VY 0.8745
197 IJ4 0.8744
198 JKK 0.8738
199 AOY 0.8736
200 7N8 0.8733
201 WT2 0.8732
202 0V8 0.8731
203 LZ4 0.8731
204 PQS 0.8731
205 4FC 0.8729
206 801 0.8728
207 6FR 0.8726
208 C9M 0.8722
209 U55 0.8721
210 C0V 0.8720
211 HAR 0.8719
212 EGV 0.8717
213 8D6 0.8716
214 GB4 0.8715
215 3IB 0.8713
216 9JT 0.8710
217 1A5 0.8709
218 833 0.8700
219 SYD 0.8700
220 BXS 0.8698
221 HPK 0.8698
222 EYY 0.8697
223 MFY 0.8697
224 22M 0.8696
225 KAP 0.8693
226 API 0.8693
227 F91 0.8690
228 3D3 0.8689
229 4JK 0.8688
230 RB7 0.8688
231 OKS 0.8685
232 7EH 0.8681
233 RDM 0.8679
234 GVI 0.8678
235 54E 0.8675
236 4YZ 0.8675
237 I58 0.8674
238 8V8 0.8671
239 LZ5 0.8671
240 SB9 0.8670
241 PPN 0.8669
242 U13 0.8664
243 Z70 0.8658
244 90M 0.8654
245 EPE 0.8650
246 FZ3 0.8650
247 YTZ 0.8649
248 PW5 0.8643
249 14N 0.8642
250 U14 0.8641
251 EXY 0.8640
252 BFL 0.8638
253 2JP 0.8635
254 L02 0.8634
255 F18 0.8633
256 92G 0.8630
257 7ZO 0.8628
258 JX7 0.8628
259 OGY 0.8626
260 5UF 0.8625
261 7HV 0.8624
262 SJK 0.8622
263 IPO 0.8620
264 ND5 0.8612
265 JON 0.8607
266 4CN 0.8604
267 AWE 0.8599
268 4RG 0.8598
269 D8Y 0.8594
270 8AC 0.8593
271 A05 0.8592
272 PUW 0.8590
273 TEF 0.8585
274 9FG 0.8582
275 120 0.8579
276 D8B 0.8576
277 J4K 0.8575
278 3KJ 0.8573
279 BTI 0.8570
280 6Q3 0.8570
281 M3C 0.8569
282 FY8 0.8556
283 B15 0.8555
284 RGP 0.8551
285 GF7 0.8548
286 0QV 0.8545
287 A4N 0.8540
288 PQM 0.8527
289 6SD 0.8518
290 L4K 0.8517
Ligand no: 2; Ligand: N9J; Similar ligands found: 776
No: Ligand Similarity coefficient
1 XIZ 0.9682
2 PO6 0.9675
3 HCI 0.9664
4 TCA 0.9629
5 PBN 0.9600
6 HX4 0.9582
7 M6H 0.9537
8 0NX 0.9531
9 HC4 0.9524
10 CXP 0.9517
11 PPY 0.9512
12 XI7 0.9480
13 P58 0.9461
14 J0Z 0.9458
15 DIR 0.9456
16 P80 0.9455
17 3H2 0.9454
18 P7Y 0.9454
19 PHE 0.9452
20 92G 0.9445
21 HXY 0.9444
22 0A9 0.9440
23 PBA 0.9436
24 3QO 0.9435
25 TB8 0.9435
26 GVY 0.9433
27 4LV 0.9430
28 SOJ 0.9425
29 P81 0.9422
30 7VP 0.9422
31 GB5 0.9420
32 N2Y 0.9402
33 HX8 0.9395
34 HGA 0.9395
35 1BN 0.9395
36 C82 0.9394
37 K7M 0.9392
38 TMG 0.9390
39 Q9Z 0.9385
40 HF2 0.9381
41 XCG 0.9381
42 URO 0.9379
43 3YP 0.9376
44 2FX 0.9373
45 NFA 0.9373
46 DPN 0.9369
47 PCS 0.9369
48 RA7 0.9369
49 GO2 0.9360
50 MES 0.9360
51 NNH 0.9357
52 L22 0.9350
53 AHN 0.9344
54 DHC 0.9338
55 F4E 0.9338
56 4FP 0.9337
57 F06 0.9337
58 HPP 0.9334
59 FF2 0.9334
60 J9N 0.9330
61 AHC 0.9329
62 TYR 0.9325
63 PPT 0.9324
64 N1E 0.9321
65 B40 0.9318
66 ZZA 0.9316
67 4TB 0.9306
68 TZM 0.9305
69 S0W 0.9304
70 YIE 0.9298
71 ENO 0.9290
72 4LW 0.9287
73 2HC 0.9284
74 6J5 0.9279
75 R9M 0.9279
76 GNW 0.9276
77 ERZ 0.9276
78 54F 0.9271
79 M45 0.9271
80 HFA 0.9270
81 61M 0.9266
82 OJD 0.9263
83 LSQ 0.9260
84 ARG 0.9260
85 TOH 0.9258
86 0OL 0.9252
87 4ZD 0.9250
88 AOT 0.9248
89 3GZ 0.9248
90 GCO 0.9248
91 GZ2 0.9247
92 ESX 0.9245
93 ESP 0.9241
94 C0H 0.9240
95 FZM 0.9238
96 PHI 0.9237
97 PRA 0.9236
98 N4B 0.9236
99 S0F 0.9233
100 BNF 0.9230
101 BZQ 0.9230
102 258 0.9226
103 PH3 0.9225
104 HHI 0.9224
105 DHI 0.9224
106 7OD 0.9221
107 363 0.9219
108 TRP 0.9219
109 S0D 0.9217
110 LT1 0.9216
111 A5E 0.9215
112 9W5 0.9215
113 KMY 0.9212
114 6SD 0.9206
115 11X 0.9206
116 G14 0.9206
117 S8V 0.9206
118 1L5 0.9204
119 AKG 0.9203
120 6FZ 0.9203
121 ENW 0.9202
122 ALE 0.9200
123 EQW 0.9200
124 X48 0.9199
125 HL4 0.9197
126 EYJ 0.9187
127 Z70 0.9185
128 BZ2 0.9182
129 LNR 0.9179
130 LL2 0.9177
131 1A7 0.9176
132 KLE 0.9175
133 PRO GLY 0.9173
134 LZ5 0.9172
135 HIC 0.9169
136 S7A 0.9169
137 EQA 0.9168
138 1PS 0.9168
139 ODK 0.9166
140 9YT 0.9164
141 EN1 0.9159
142 TYC 0.9158
143 BNL 0.9158
144 NYL 0.9158
145 HIS 0.9156
146 TYE 0.9154
147 DTY 0.9154
148 4V2 0.9152
149 CH8 0.9147
150 KDG 0.9137
151 F90 0.9136
152 7R4 0.9133
153 4WL 0.9131
154 264 0.9128
155 795 0.9127
156 AEG 0.9126
157 848 0.9120
158 MSR 0.9120
159 UN1 0.9119
160 6HO 0.9117
161 GB4 0.9117
162 D3G 0.9115
163 OOG 0.9114
164 PAC 0.9114
165 FHC 0.9113
166 56D 0.9112
167 J4K 0.9112
168 ICB 0.9110
169 OGA 0.9110
170 BPW 0.9107
171 A5H 0.9097
172 4HP 0.9097
173 YPN 0.9097
174 M74 0.9096
175 IOS 0.9095
176 0OY 0.9091
177 MMS 0.9090
178 3VW 0.9089
179 4BF 0.9089
180 7MW 0.9085
181 KLS 0.9084
182 R2P 0.9083
183 BP7 0.9082
184 YOF 0.9082
185 B3U 0.9082
186 6L6 0.9081
187 R20 0.9081
188 CPZ 0.9080
189 2UB 0.9079
190 FCD 0.9078
191 H4E 0.9078
192 4PN 0.9078
193 1X4 0.9078
194 S2P 0.9077
195 GLR 0.9076
196 XDK 0.9075
197 IPO 0.9072
198 PFF 0.9072
199 50C 0.9072
200 JX7 0.9071
201 SSB 0.9070
202 FPL 0.9067
203 EOU 0.9065
204 PQT 0.9064
205 1VK 0.9063
206 3XH 0.9056
207 JMG 0.9056
208 C53 0.9051
209 6ZX 0.9051
210 GLU 0.9050
211 DAH 0.9049
212 MJ5 0.9049
213 3QM 0.9048
214 A51 0.9048
215 GT4 0.9046
216 36M 0.9045
217 A7Q 0.9042
218 2PV 0.9042
219 ESI 0.9041
220 2PK 0.9041
221 DXG 0.9041
222 4I8 0.9041
223 EYV 0.9039
224 268 0.9039
225 B85 0.9039
226 492 0.9038
227 XQI 0.9038
228 EVF 0.9038
229 TIH 0.9036
230 0K7 0.9035
231 A3M 0.9035
232 RP3 0.9034
233 TZP 0.9032
234 ACA 0.9032
235 36Y 0.9031
236 0OO 0.9030
237 0SY 0.9029
238 N6C 0.9028
239 3VQ 0.9027
240 0QW 0.9026
241 B41 0.9025
242 9ZE 0.9025
243 KYN 0.9022
244 SB7 0.9022
245 4FF 0.9019
246 GWM 0.9018
247 4XF 0.9018
248 DHY 0.9018
249 4Z1 0.9017
250 E3X 0.9016
251 M5E 0.9016
252 650 0.9015
253 QBM 0.9011
254 CFA 0.9011
255 SWX 0.9010
256 MLZ 0.9010
257 QMP 0.9009
258 ENV 0.9009
259 263 0.9008
260 CS2 0.9008
261 4BX 0.9007
262 DI6 0.9006
263 6MW 0.9006
264 XRS 0.9006
265 MPV 0.9005
266 6Q3 0.9004
267 RKV 0.9003
268 2HG 0.8998
269 BRH 0.8998
270 6N4 0.8996
271 SNU 0.8996
272 9VQ 0.8995
273 CK2 0.8995
274 4Z3 0.8995
275 RCV 0.8993
276 LYS 0.8993
277 J6W 0.8991
278 E79 0.8990
279 PIM 0.8990
280 HNH 0.8988
281 A6H 0.8986
282 0XR 0.8985
283 11C 0.8982
284 ONL 0.8980
285 1F1 0.8980
286 DGL 0.8979
287 GLO 0.8978
288 0L1 0.8976
289 BVS 0.8975
290 SHI 0.8972
291 MD6 0.8969
292 BQ2 0.8968
293 KTW 0.8967
294 DEZ 0.8965
295 B1J 0.8964
296 HPS 0.8963
297 GGL 0.8962
298 2IT 0.8962
299 HNK 0.8962
300 7C3 0.8961
301 YZM 0.8961
302 TYL 0.8961
303 DZA 0.8960
304 L03 0.8959
305 GOJ 0.8958
306 JZA 0.8958
307 1Z6 0.8957
308 28A 0.8957
309 6C9 0.8955
310 3IP 0.8955
311 14W 0.8955
312 KTJ 0.8955
313 6C5 0.8954
314 7BC 0.8952
315 I3E 0.8949
316 GUA 0.8949
317 OHJ 0.8948
318 37E 0.8947
319 NFM 0.8946
320 5OO 0.8945
321 E4P 0.8945
322 F63 0.8945
323 LLH 0.8943
324 9VZ 0.8943
325 5WZ 0.8941
326 M4T 0.8939
327 LDP 0.8936
328 OTR 0.8936
329 QUS 0.8935
330 TLM 0.8935
331 9B3 0.8933
332 3CR 0.8933
333 FOM 0.8932
334 5H6 0.8932
335 BPY 0.8931
336 5F8 0.8931
337 36E 0.8930
338 AOY 0.8929
339 R9J 0.8929
340 7ZL 0.8929
341 HJH 0.8929
342 1N5 0.8928
343 GGB 0.8928
344 4VY 0.8926
345 AG2 0.8925
346 QME 0.8925
347 7O4 0.8924
348 IAC 0.8924
349 RQD 0.8924
350 ZRK 0.8923
351 8OB 0.8922
352 GXG 0.8921
353 IC9 0.8920
354 8OE 0.8920
355 ABF 0.8919
356 SNO 0.8919
357 URS 0.8918
358 HNL 0.8918
359 HSX 0.8915
360 MUC 0.8915
361 HWD 0.8914
362 IAR 0.8914
363 JAH 0.8910
364 YIP 0.8910
365 ISA 0.8909
366 N2I 0.8908
367 QY9 0.8908
368 FER 0.8908
369 DGN 0.8908
370 F52 0.8908
371 Y4L 0.8907
372 GLN 0.8907
373 3S9 0.8906
374 S2G 0.8906
375 CLU 0.8905
376 DE5 0.8904
377 SME 0.8904
378 XRX 0.8902
379 8U3 0.8901
380 2BG 0.8900
381 AHL 0.8900
382 2QC 0.8899
383 TSR 0.8899
384 TEG 0.8899
385 C1M 0.8896
386 D2G 0.8894
387 5FL 0.8894
388 3VX 0.8891
389 OA1 0.8889
390 1XS 0.8888
391 IVL 0.8885
392 DAR 0.8883
393 6FG 0.8882
394 TSS 0.8882
395 YIH 0.8882
396 26P 0.8881
397 MP5 0.8880
398 XIY 0.8879
399 0JD 0.8878
400 DTR 0.8878
401 L5V 0.8877
402 5XB 0.8876
403 LPK 0.8876
404 6TZ 0.8875
405 1SV 0.8875
406 FMQ 0.8874
407 QH3 0.8874
408 F4K 0.8872
409 PIY 0.8871
410 LL1 0.8871
411 5NI 0.8870
412 JRB 0.8869
413 PMF 0.8868
414 GVA 0.8868
415 4TP 0.8868
416 3PG 0.8866
417 NCT 0.8866
418 RNO 0.8865
419 428 0.8864
420 I2E 0.8864
421 PSJ 0.8863
422 MHO 0.8862
423 HSO 0.8861
424 6NI 0.8861
425 VXX 0.8861
426 CUW 0.8861
427 4YZ 0.8860
428 AOS 0.8860
429 5DL 0.8858
430 6KT 0.8857
431 S7G 0.8857
432 MAJ 0.8857
433 DA3 0.8857
434 DYT 0.8856
435 SDD 0.8856
436 3HG 0.8855
437 0VT 0.8855
438 2D2 0.8855
439 80G 0.8854
440 PJW 0.8854
441 BZE 0.8854
442 A29 0.8853
443 3C4 0.8853
444 27K 0.8853
445 64Z 0.8849
446 9JT 0.8848
447 JB8 0.8847
448 22F 0.8846
449 JCZ 0.8845
450 K80 0.8845
451 ONH 0.8845
452 HG3 0.8842
453 JDN 0.8842
454 1M2 0.8842
455 BCU 0.8841
456 68B 0.8841
457 MF3 0.8841
458 2P3 0.8841
459 D8Q 0.8840
460 CCU 0.8839
461 AMQ 0.8838
462 GJZ 0.8838
463 6C8 0.8837
464 API 0.8836
465 SYC 0.8836
466 PHU 0.8836
467 OCA 0.8835
468 SEP 0.8834
469 I4B 0.8834
470 NK5 0.8833
471 HDH 0.8833
472 HLP 0.8832
473 IYR 0.8832
474 5TO 0.8831
475 N7I 0.8830
476 FEH 0.8828
477 173 0.8828
478 XOG 0.8828
479 F98 0.8828
480 OLU 0.8827
481 X6W 0.8825
482 2NP 0.8825
483 SOR 0.8823
484 KMH 0.8823
485 Q06 0.8823
486 JGB 0.8823
487 MTL 0.8822
488 MSL 0.8822
489 5PV 0.8821
490 Q03 0.8820
491 K48 0.8819
492 CH9 0.8819
493 M78 0.8818
494 6HN 0.8817
495 HQJ 0.8817
496 TJM 0.8815
497 LX1 0.8814
498 5O5 0.8813
499 GAE 0.8812
500 K3D 0.8812
501 DCN 0.8812
502 5E5 0.8811
503 GXD 0.8810
504 IOP 0.8809
505 CIY 0.8807
506 H48 0.8807
507 RP5 0.8806
508 8SZ 0.8805
509 TIA 0.8804
510 OKG 0.8804
511 4AU 0.8800
512 RBJ 0.8800
513 LJ4 0.8799
514 AX3 0.8799
515 8D6 0.8797
516 49F 0.8797
517 BVA 0.8796
518 XYH 0.8794
519 JA5 0.8793
520 ZYQ 0.8793
521 15N 0.8792
522 DBS 0.8792
523 SV4 0.8791
524 MHN 0.8791
525 0ON 0.8791
526 1KN 0.8789
527 PLP 0.8788
528 FUD 0.8787
529 CK1 0.8787
530 A7H 0.8787
531 DBE 0.8787
532 GRQ 0.8785
533 PNZ 0.8785
534 TT4 0.8784
535 MJW 0.8781
536 KPA 0.8780
537 2JJ 0.8780
538 KTA 0.8778
539 Q4G 0.8777
540 3LR 0.8776
541 TZF 0.8774
542 M3P 0.8771
543 Q04 0.8770
544 AAN 0.8770
545 DEW 0.8769
546 9FH 0.8768
547 5LD 0.8768
548 GO8 0.8768
549 FC2 0.8767
550 AVA 0.8766
551 2F6 0.8765
552 VC3 0.8764
553 PUE 0.8764
554 ZZU 0.8764
555 TCC 0.8760
556 C9M 0.8760
557 5OY 0.8758
558 TU0 0.8758
559 CXH 0.8757
560 EGV 0.8757
561 P93 0.8755
562 2O6 0.8754
563 MXD 0.8753
564 AMR 0.8752
565 9UL 0.8752
566 JPQ 0.8750
567 DLT 0.8749
568 5AD 0.8749
569 HA5 0.8749
570 LUQ 0.8749
571 DER 0.8747
572 833 0.8746
573 ZEC 0.8746
574 1ZC 0.8745
575 S7D 0.8745
576 LGT 0.8745
577 HL6 0.8744
578 E9S 0.8744
579 EXG 0.8742
580 CIR 0.8742
581 DHM 0.8741
582 LFQ 0.8741
583 R7T 0.8739
584 3IL 0.8738
585 6XA 0.8738
586 NIZ 0.8738
587 SKF 0.8737
588 7MX 0.8733
589 TPM 0.8732
590 DXP 0.8732
591 92P 0.8731
592 MUK 0.8727
593 46P 0.8726
594 NBB 0.8726
595 AEF 0.8726
596 YRL 0.8724
597 52C 0.8723
598 4FA 0.8722
599 TOM 0.8722
600 TAG 0.8722
601 EXD 0.8721
602 NM3 0.8720
603 4G2 0.8720
604 BL0 0.8720
605 KDV 0.8720
606 GLY GLY GLY 0.8719
607 7UC 0.8718
608 4FE 0.8717
609 GVG 0.8716
610 S0E 0.8716
611 WT2 0.8715
612 CC5 0.8715
613 SZ7 0.8715
614 ITW 0.8714
615 WVV 0.8714
616 MQB 0.8713
617 BHO 0.8713
618 4EU 0.8713
619 LTT 0.8713
620 CHH 0.8713
621 6C4 0.8713
622 0LO 0.8713
623 BSA 0.8711
624 QFJ 0.8711
625 NFZ 0.8711
626 ILO 0.8711
627 D1G 0.8710
628 CWD 0.8708
629 E9P 0.8706
630 152 0.8706
631 SX2 0.8706
632 9BF 0.8706
633 5O6 0.8706
634 P2L 0.8705
635 ORN 0.8701
636 IQQ 0.8700
637 S8G 0.8700
638 FWD 0.8699
639 0BP 0.8698
640 AUV 0.8696
641 ARP 0.8696
642 3R4 0.8696
643 BHU 0.8696
644 RUJ 0.8696
645 PEA 0.8695
646 S46 0.8694
647 F18 0.8694
648 M3E 0.8693
649 3S5 0.8692
650 5F5 0.8690
651 L13 0.8690
652 CEE 0.8689
653 L1T 0.8688
654 LNO 0.8688
655 94W 0.8687
656 NPI 0.8687
657 PML 0.8686
658 C6Z 0.8686
659 I1E 0.8685
660 011 0.8683
661 657 0.8682
662 FHV 0.8679
663 PLR 0.8679
664 RGP 0.8675
665 NTU 0.8675
666 0A1 0.8668
667 SSC 0.8667
668 URP 0.8667
669 MMJ 0.8666
670 LVP 0.8665
671 VM1 0.8665
672 4MP 0.8665
673 FTV 0.8664
674 2LT 0.8664
675 STT 0.8663
676 4NS 0.8663
677 MAH 0.8662
678 M72 0.8662
679 TI7 0.8661
680 L5D 0.8661
681 JF6 0.8660
682 D9Z 0.8660
683 47V 0.8660
684 5XA 0.8659
685 13P 0.8658
686 SHV 0.8658
687 CCD 0.8657
688 D1Y 0.8656
689 8GL 0.8656
690 S7S 0.8656
691 G8V 0.8655
692 4HB 0.8655
693 YTX 0.8652
694 4Z9 0.8650
695 8EW 0.8650
696 535 0.8649
697 A9B 0.8649
698 CCE 0.8648
699 3D8 0.8647
700 YE6 0.8646
701 HBU 0.8645
702 D4G 0.8643
703 8OZ 0.8642
704 KPC 0.8641
705 97T 0.8641
706 8ZE 0.8640
707 2C0 0.8640
708 E1P 0.8638
709 DAL DAL 0.8638
710 EAT 0.8637
711 9GB 0.8636
712 54E 0.8634
713 SAF 0.8633
714 X1R 0.8633
715 SLS 0.8633
716 BBY 0.8632
717 42J 0.8632
718 0QA 0.8631
719 L15 0.8629
720 HAR 0.8624
721 SYM 0.8622
722 RES 0.8622
723 9FG 0.8622
724 NMM 0.8621
725 HPN 0.8621
726 9R5 0.8620
727 MET 0.8619
728 J9Q 0.8617
729 MVH 0.8613
730 N3W 0.8613
731 4CF 0.8613
732 MZT 0.8610
733 GOE 0.8610
734 9PL 0.8610
735 2B4 0.8609
736 RNT 0.8609
737 G3H 0.8602
738 CMU 0.8601
739 U13 0.8601
740 B09 0.8601
741 THM 0.8597
742 EXY 0.8593
743 2JX 0.8591
744 BWD 0.8591
745 X6P 0.8591
746 78U 0.8590
747 IWD 0.8590
748 8WT 0.8588
749 MR1 0.8586
750 A7K 0.8584
751 EV2 0.8583
752 7UZ 0.8577
753 R9V 0.8573
754 GP9 0.8570
755 CXF 0.8569
756 069 0.8568
757 GVM 0.8568
758 F9Y 0.8567
759 ATX 0.8566
760 NAG 0.8565
761 UA5 0.8564
762 5C1 0.8563
763 GPF 0.8563
764 E1T 0.8561
765 HRG 0.8557
766 R9S 0.8557
767 GPJ 0.8556
768 5GT 0.8556
769 B21 0.8555
770 3OL 0.8553
771 27B 0.8553
772 PGH 0.8550
773 BY5 0.8548
774 XIF XYP 0.8542
775 SYE 0.8536
776 R9Y 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6LJ1; Ligand: EEX; 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: 6lj1.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
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