Receptor
PDB id Resolution Class Description Source Keywords
4w53 1.56 Å EC: 3.2.1.17 T4 LYSOZYME L99A WITH TOLUENE BOUND ENTEROBACTERIA PHAGE T4 HYDROLASE
Ref.: HOMOLOGOUS LIGANDS ACCOMMODATED BY DISCRETE CONFORM A BURIED CAVITY. PROC.NATL.ACAD.SCI.USA V. 112 5039 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE A:201;
Invalid;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
MBN A:200;
Valid;
none;
Kd = 102 uM
92.138 C7 H8 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RUN 1.4 Å EC: 3.2.1.17 NEW STRATEGY TO ANALYZE STRUCTURES OF GLYCOPEPTIDE ANTIBIOTI COMPLEXES ENTEROBACTERIA PHAGE T4 ANTIBIOTIC GLYCOPEPTIDE NATIVE PROTEIN LIGATION FUSION CARBOXYMETHYLATION OF CYSTEINE VANCOMYCIN HYDROLASE-ANTIBCOMPLEX
Ref.: A CARRIER PROTEIN STRATEGY YIELDS THE STRUCTURE OF DALBAVANCIN. J.AM.CHEM.SOC. V. 134 4637 2012
Members (94)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3DN4 Ka = 51800 M^-1 PIH C6 H5 I c1ccc(cc1)....
2 1LI2 Kd = 91 uM IPH C6 H6 O c1ccc(cc1)....
3 3HH3 - B20 C4 H6 B N B1C=CC=CN1
4 4W53 Kd = 102 uM MBN C7 H8 Cc1ccccc1
5 3DMZ - HFB C6 F6 c1(c(c(c(c....
6 2OTZ Kd = 357 uM 1MR C7 H9 N CNc1ccccc1
7 1LI6 Ka = 6300 M^-1 5MP C5 H7 N Cc1cc[nH]c....
8 5G27 - MTN C10 H18 N O3 S2 CC1(C=C(C(....
9 225L - PXY C8 H10 Cc1ccc(cc1....
10 1OV5 - 2LP C9 H10 O C=CCc1cccc....
11 2RBN - 264 C8 H8 N2 c1ccc(cc1)....
12 1OV7 - LYL C10 H12 O Cc1cccc(c1....
13 2OTY Kd = 21 uM YAN C6 H4 Cl2 c1ccc(c(c1....
14 1LGX - 5AN C6 H5 F2 N c1c(cc(cc1....
15 4W54 Kd = 68 uM PYJ C8 H10 CCc1ccccc1
16 1L83 Kd = 0.4 mM BNZ C6 H6 c1ccccc1
17 3HT8 Kd = 0.12 mM JZ2 C7 H7 Cl O Cc1ccc(cc1....
18 3DNA Ka = 40900 M^-1 PIH C6 H5 I c1ccc(cc1)....
19 3HH6 - PYJ C8 H10 CCc1ccccc1
20 2RB1 - 261 C8 H10 O2 CCOc1ccccc....
21 1NHB Ka = 14800 M^-1 PYJ C8 H10 CCc1ccccc1
22 2RAY - 258 C8 H9 Cl O c1ccc(cc1)....
23 3HUA Kd = 0.278 mM JZ9 C8 H11 N c1c[nH]c2c....
24 3DN2 - BBF C6 Br F5 c1(c(c(c(c....
25 2F47 Kd = 148 mM MGX C2 H7 N3 [H]/N=C(/N....
26 2RBO - 265 C4 H3 N O2 S c1cc(sc1)[....
27 3DN0 - F5B C6 H F5 c1c(c(c(c(....
28 185L Kd = 289 uM IND C8 H7 N c1ccc2c(c1....
29 186L Kd = 14 uM N4B C10 H14 CCCCc1cccc....
30 3GUK Ka = 14100 M^-1 MBN C7 H8 Cc1ccccc1
31 5JWV Ka = 14100 M^-1 PYJ C8 H10 CCc1ccccc1
32 4W52 Kd = 175 uM BNZ C6 H6 c1ccccc1
33 1XEP - CAQ C6 H6 O2 c1ccc(c(c1....
34 3HTG - JZ7 C7 H12 O2 CCO[C@@H]1....
35 227L - BNZ C6 H6 c1ccccc1
36 3HU8 Kd = 0.79 mM 261 C8 H10 O2 CCOc1ccccc....
37 3HTF - JZ6 C3 H3 Cl N2 c1c(cn[nH]....
38 2RBP - 266 C5 H12 O S CCCSCCO
39 3HH4 - BNZ C6 H6 c1ccccc1
40 2RAZ - 259 C7 H7 N O2 S CSc1ccc(cc....
41 182L Ka = 8900 M^-1 BZF C8 H6 O c1ccc2c(c1....
42 1OVH - 2CM C7 H8 Cl N Cc1cccc(c1....
43 3HT6 Kd = 0.36 mM JZ0 C7 H8 O Cc1ccccc1O
44 5JWS Ka = 9000 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
45 1L84 - BNZ C6 H6 c1ccccc1
46 3HUQ Kd = 0.25 mM J1Z C6 H4 S2 c1csc2c1sc....
47 3DMX Kd = 58.5 uM BNZ C6 H6 c1ccccc1
48 188L Kd = 469 uM OXE C8 H10 Cc1ccccc1C
49 3DN8 - IBF C6 F5 I c1(c(c(c(c....
50 3HT9 - JZ3 C7 H8 O2 COc1ccccc1....
51 4W57 Kd = 14 uM N4B C10 H14 CCCCc1cccc....
52 5JWT Ka = 18900 M^-1 BNZ C6 H6 c1ccccc1
53 3GUM Ka = 6610 M^-1 PXY C8 H10 Cc1ccc(cc1....
54 181L Ka = 5700 M^-1 BNZ C6 H6 c1ccccc1
55 3DN3 Ka = 3330 M^-1 IBF C6 F5 I c1(c(c(c(c....
56 2RBQ - 263 C8 H9 N3 Cc1cccc(c1....
57 2RB2 - 263 C8 H9 N3 Cc1cccc(c1....
58 3RUN Kd = 3.6 uM MLU OMZ ASN GHP GHP OMY 3FG BGC RER n/a n/a
59 1LI3 Kd = 56 uM 3CH C6 H5 Cl O c1cc(cc(c1....
60 2RBR - 268 C8 H10 O2 c1ccc(cc1)....
61 5JWU Ka = 87700 M^-1 B20 C4 H6 B N B1C=CC=CN1
62 3GUL Ka = 22800 M^-1 PYJ C8 H10 CCc1ccccc1
63 4W58 - 3H2 C11 H16 CCCCCc1ccc....
64 184L Ka = 51000 M^-1 I4B C10 H14 CC(C)Cc1cc....
65 3GUO Ka = 9150 M^-1 IPH C6 H6 O c1ccc(cc1)....
66 3HTD - JZ5 C5 H5 N O S c1cc(sc1)/....
67 3HTB Kd = 73.9 uM JZ4 C9 H12 O CCCc1ccccc....
68 187L Kd = 422 uM PXY C8 H10 Cc1ccc(cc1....
69 1OVJ - FLM C7 H8 F N Cc1c(cccc1....
70 4W55 Kd = 18 uM 3H0 C9 H12 CCCc1ccccc....
71 3GUJ Ka = 37200 M^-1 BNZ C6 H6 c1ccccc1
72 5LWO - RXR C10 H18 N O S2 CC1(C(=C(C....
73 3HU9 - NBE C6 H5 N O c1ccc(cc1)....
74 1LGW Kd = 100 uM 1AN C6 H6 F N c1ccc(c(c1....
75 3DN6 - F3B C6 Cl3 F3 c1(c(c(c(c....
76 2RB0 - 260 C7 H5 Br F2 c1cc(c(c(c....
77 2RBS - 269 C9 H11 Cl O c1ccc(cc1)....
78 2OU0 Kd = 592 uM MR3 C5 H7 N Cn1cccc1
79 3HH5 - B24 C6 H10 B N B1C=CC=CN1....
80 220L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
81 5JDT - MTN C10 H18 N O3 S2 CC1(C=C(C(....
82 1OVK - NYL C9 H11 N C=CCNc1ccc....
83 3HUK Kd = 0.35 mM J0Z C9 H10 O2 CC(=O)OCc1....
84 4W59 - 3GZ C12 H18 CCCCCCc1cc....
85 223L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
86 3GUP - 0PY C5 H5 N c1ccncc1
87 3HT7 Kd = 0.28 mM JZ1 C8 H10 O CCc1ccccc1....
88 1OWY - PRY C9 H13 N CCCc1ccccc....
89 3DN1 - BCF C6 Cl F5 c1(c(c(c(c....
90 4W56 - 3GY C10 H14 CC[C@@H](C....
91 183L Ka = 5170 M^-1 DEN C9 H8 c1ccc2c(c1....
92 2F32 Kd = 73 mM EGD C3 H9 N3 [H]/N=C(N)....
93 5JWW Ka = 20800 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
94 1OWZ - 4FA C8 H9 F O c1cc(ccc1C....
70% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3DN4 Ka = 51800 M^-1 PIH C6 H5 I c1ccc(cc1)....
2 1LI2 Kd = 91 uM IPH C6 H6 O c1ccc(cc1)....
3 3HH3 - B20 C4 H6 B N B1C=CC=CN1
4 4W53 Kd = 102 uM MBN C7 H8 Cc1ccccc1
5 3DMZ - HFB C6 F6 c1(c(c(c(c....
6 2OTZ Kd = 357 uM 1MR C7 H9 N CNc1ccccc1
7 1LI6 Ka = 6300 M^-1 5MP C5 H7 N Cc1cc[nH]c....
8 5G27 - MTN C10 H18 N O3 S2 CC1(C=C(C(....
9 225L - PXY C8 H10 Cc1ccc(cc1....
10 1OV5 - 2LP C9 H10 O C=CCc1cccc....
11 2RBN - 264 C8 H8 N2 c1ccc(cc1)....
12 1OV7 - LYL C10 H12 O Cc1cccc(c1....
13 2OTY Kd = 21 uM YAN C6 H4 Cl2 c1ccc(c(c1....
14 1LGX - 5AN C6 H5 F2 N c1c(cc(cc1....
15 4W54 Kd = 68 uM PYJ C8 H10 CCc1ccccc1
16 1L83 Kd = 0.4 mM BNZ C6 H6 c1ccccc1
17 3HT8 Kd = 0.12 mM JZ2 C7 H7 Cl O Cc1ccc(cc1....
18 3DNA Ka = 40900 M^-1 PIH C6 H5 I c1ccc(cc1)....
19 3HH6 - PYJ C8 H10 CCc1ccccc1
20 2RB1 - 261 C8 H10 O2 CCOc1ccccc....
21 1NHB Ka = 14800 M^-1 PYJ C8 H10 CCc1ccccc1
22 2RAY - 258 C8 H9 Cl O c1ccc(cc1)....
23 3HUA Kd = 0.278 mM JZ9 C8 H11 N c1c[nH]c2c....
24 3DN2 - BBF C6 Br F5 c1(c(c(c(c....
25 2F47 Kd = 148 mM MGX C2 H7 N3 [H]/N=C(/N....
26 2RBO - 265 C4 H3 N O2 S c1cc(sc1)[....
27 3DN0 - F5B C6 H F5 c1c(c(c(c(....
28 185L Kd = 289 uM IND C8 H7 N c1ccc2c(c1....
29 186L Kd = 14 uM N4B C10 H14 CCCCc1cccc....
30 3GUK Ka = 14100 M^-1 MBN C7 H8 Cc1ccccc1
31 5JWV Ka = 14100 M^-1 PYJ C8 H10 CCc1ccccc1
32 4W52 Kd = 175 uM BNZ C6 H6 c1ccccc1
33 1XEP - CAQ C6 H6 O2 c1ccc(c(c1....
34 3HTG - JZ7 C7 H12 O2 CCO[C@@H]1....
35 227L - BNZ C6 H6 c1ccccc1
36 3HU8 Kd = 0.79 mM 261 C8 H10 O2 CCOc1ccccc....
37 3HTF - JZ6 C3 H3 Cl N2 c1c(cn[nH]....
38 2RBP - 266 C5 H12 O S CCCSCCO
39 3HH4 - BNZ C6 H6 c1ccccc1
40 2RAZ - 259 C7 H7 N O2 S CSc1ccc(cc....
41 182L Ka = 8900 M^-1 BZF C8 H6 O c1ccc2c(c1....
42 1OVH - 2CM C7 H8 Cl N Cc1cccc(c1....
43 3HT6 Kd = 0.36 mM JZ0 C7 H8 O Cc1ccccc1O
44 5JWS Ka = 9000 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
45 1L84 - BNZ C6 H6 c1ccccc1
46 3HUQ Kd = 0.25 mM J1Z C6 H4 S2 c1csc2c1sc....
47 3DMX Kd = 58.5 uM BNZ C6 H6 c1ccccc1
48 188L Kd = 469 uM OXE C8 H10 Cc1ccccc1C
49 3DN8 - IBF C6 F5 I c1(c(c(c(c....
50 3HT9 - JZ3 C7 H8 O2 COc1ccccc1....
51 4W57 Kd = 14 uM N4B C10 H14 CCCCc1cccc....
52 5JWT Ka = 18900 M^-1 BNZ C6 H6 c1ccccc1
53 3GUM Ka = 6610 M^-1 PXY C8 H10 Cc1ccc(cc1....
54 181L Ka = 5700 M^-1 BNZ C6 H6 c1ccccc1
55 3DN3 Ka = 3330 M^-1 IBF C6 F5 I c1(c(c(c(c....
56 2RBQ - 263 C8 H9 N3 Cc1cccc(c1....
57 2RB2 - 263 C8 H9 N3 Cc1cccc(c1....
58 3RUN Kd = 3.6 uM MLU OMZ ASN GHP GHP OMY 3FG BGC RER n/a n/a
59 1LI3 Kd = 56 uM 3CH C6 H5 Cl O c1cc(cc(c1....
60 2RBR - 268 C8 H10 O2 c1ccc(cc1)....
61 5JWU Ka = 87700 M^-1 B20 C4 H6 B N B1C=CC=CN1
62 3GUL Ka = 22800 M^-1 PYJ C8 H10 CCc1ccccc1
63 4W58 - 3H2 C11 H16 CCCCCc1ccc....
64 184L Ka = 51000 M^-1 I4B C10 H14 CC(C)Cc1cc....
65 3GUO Ka = 9150 M^-1 IPH C6 H6 O c1ccc(cc1)....
66 3HTD - JZ5 C5 H5 N O S c1cc(sc1)/....
67 3HTB Kd = 73.9 uM JZ4 C9 H12 O CCCc1ccccc....
68 187L Kd = 422 uM PXY C8 H10 Cc1ccc(cc1....
69 1OVJ - FLM C7 H8 F N Cc1c(cccc1....
70 4W55 Kd = 18 uM 3H0 C9 H12 CCCc1ccccc....
71 3GUJ Ka = 37200 M^-1 BNZ C6 H6 c1ccccc1
72 5LWO - RXR C10 H18 N O S2 CC1(C(=C(C....
73 3HU9 - NBE C6 H5 N O c1ccc(cc1)....
74 1LGW Kd = 100 uM 1AN C6 H6 F N c1ccc(c(c1....
75 3DN6 - F3B C6 Cl3 F3 c1(c(c(c(c....
76 2RB0 - 260 C7 H5 Br F2 c1cc(c(c(c....
77 2RBS - 269 C9 H11 Cl O c1ccc(cc1)....
78 2OU0 Kd = 592 uM MR3 C5 H7 N Cn1cccc1
79 3HH5 - B24 C6 H10 B N B1C=CC=CN1....
80 220L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
81 5JDT - MTN C10 H18 N O3 S2 CC1(C=C(C(....
82 1OVK - NYL C9 H11 N C=CCNc1ccc....
83 3HUK Kd = 0.35 mM J0Z C9 H10 O2 CC(=O)OCc1....
84 4W59 - 3GZ C12 H18 CCCCCCc1cc....
85 223L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
86 3GUP - 0PY C5 H5 N c1ccncc1
87 3HT7 Kd = 0.28 mM JZ1 C8 H10 O CCc1ccccc1....
88 1OWY - PRY C9 H13 N CCCc1ccccc....
89 3DN1 - BCF C6 Cl F5 c1(c(c(c(c....
90 4W56 - 3GY C10 H14 CC[C@@H](C....
91 183L Ka = 5170 M^-1 DEN C9 H8 c1ccc2c(c1....
92 2F32 Kd = 73 mM EGD C3 H9 N3 [H]/N=C(N)....
93 5JWW Ka = 20800 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
94 1OWZ - 4FA C8 H9 F O c1cc(ccc1C....
95 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
96 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
97 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
98 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
99 4I7N - 1DJ C9 H8 O C#C[C@H](c....
100 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
101 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
102 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
103 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
104 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
105 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
106 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
107 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
108 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
109 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
50% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3DN4 Ka = 51800 M^-1 PIH C6 H5 I c1ccc(cc1)....
2 1LI2 Kd = 91 uM IPH C6 H6 O c1ccc(cc1)....
3 3HH3 - B20 C4 H6 B N B1C=CC=CN1
4 4W53 Kd = 102 uM MBN C7 H8 Cc1ccccc1
5 3DMZ - HFB C6 F6 c1(c(c(c(c....
6 2OTZ Kd = 357 uM 1MR C7 H9 N CNc1ccccc1
7 1LI6 Ka = 6300 M^-1 5MP C5 H7 N Cc1cc[nH]c....
8 5G27 - MTN C10 H18 N O3 S2 CC1(C=C(C(....
9 225L - PXY C8 H10 Cc1ccc(cc1....
10 1OV5 - 2LP C9 H10 O C=CCc1cccc....
11 2RBN - 264 C8 H8 N2 c1ccc(cc1)....
12 1OV7 - LYL C10 H12 O Cc1cccc(c1....
13 2OTY Kd = 21 uM YAN C6 H4 Cl2 c1ccc(c(c1....
14 1LGX - 5AN C6 H5 F2 N c1c(cc(cc1....
15 4W54 Kd = 68 uM PYJ C8 H10 CCc1ccccc1
16 1L83 Kd = 0.4 mM BNZ C6 H6 c1ccccc1
17 3HT8 Kd = 0.12 mM JZ2 C7 H7 Cl O Cc1ccc(cc1....
18 3DNA Ka = 40900 M^-1 PIH C6 H5 I c1ccc(cc1)....
19 3HH6 - PYJ C8 H10 CCc1ccccc1
20 2RB1 - 261 C8 H10 O2 CCOc1ccccc....
21 1NHB Ka = 14800 M^-1 PYJ C8 H10 CCc1ccccc1
22 2RAY - 258 C8 H9 Cl O c1ccc(cc1)....
23 3HUA Kd = 0.278 mM JZ9 C8 H11 N c1c[nH]c2c....
24 3DN2 - BBF C6 Br F5 c1(c(c(c(c....
25 2F47 Kd = 148 mM MGX C2 H7 N3 [H]/N=C(/N....
26 2RBO - 265 C4 H3 N O2 S c1cc(sc1)[....
27 3DN0 - F5B C6 H F5 c1c(c(c(c(....
28 185L Kd = 289 uM IND C8 H7 N c1ccc2c(c1....
29 186L Kd = 14 uM N4B C10 H14 CCCCc1cccc....
30 3GUK Ka = 14100 M^-1 MBN C7 H8 Cc1ccccc1
31 5JWV Ka = 14100 M^-1 PYJ C8 H10 CCc1ccccc1
32 4W52 Kd = 175 uM BNZ C6 H6 c1ccccc1
33 1XEP - CAQ C6 H6 O2 c1ccc(c(c1....
34 3HTG - JZ7 C7 H12 O2 CCO[C@@H]1....
35 227L - BNZ C6 H6 c1ccccc1
36 3HU8 Kd = 0.79 mM 261 C8 H10 O2 CCOc1ccccc....
37 3HTF - JZ6 C3 H3 Cl N2 c1c(cn[nH]....
38 2RBP - 266 C5 H12 O S CCCSCCO
39 3HH4 - BNZ C6 H6 c1ccccc1
40 2RAZ - 259 C7 H7 N O2 S CSc1ccc(cc....
41 182L Ka = 8900 M^-1 BZF C8 H6 O c1ccc2c(c1....
42 1OVH - 2CM C7 H8 Cl N Cc1cccc(c1....
43 3HT6 Kd = 0.36 mM JZ0 C7 H8 O Cc1ccccc1O
44 5JWS Ka = 9000 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
45 1L84 - BNZ C6 H6 c1ccccc1
46 3HUQ Kd = 0.25 mM J1Z C6 H4 S2 c1csc2c1sc....
47 3DMX Kd = 58.5 uM BNZ C6 H6 c1ccccc1
48 188L Kd = 469 uM OXE C8 H10 Cc1ccccc1C
49 3DN8 - IBF C6 F5 I c1(c(c(c(c....
50 3HT9 - JZ3 C7 H8 O2 COc1ccccc1....
51 4W57 Kd = 14 uM N4B C10 H14 CCCCc1cccc....
52 5JWT Ka = 18900 M^-1 BNZ C6 H6 c1ccccc1
53 3GUM Ka = 6610 M^-1 PXY C8 H10 Cc1ccc(cc1....
54 181L Ka = 5700 M^-1 BNZ C6 H6 c1ccccc1
55 3DN3 Ka = 3330 M^-1 IBF C6 F5 I c1(c(c(c(c....
56 2RBQ - 263 C8 H9 N3 Cc1cccc(c1....
57 2RB2 - 263 C8 H9 N3 Cc1cccc(c1....
58 3RUN Kd = 3.6 uM MLU OMZ ASN GHP GHP OMY 3FG BGC RER n/a n/a
59 1LI3 Kd = 56 uM 3CH C6 H5 Cl O c1cc(cc(c1....
60 2RBR - 268 C8 H10 O2 c1ccc(cc1)....
61 5JWU Ka = 87700 M^-1 B20 C4 H6 B N B1C=CC=CN1
62 3GUL Ka = 22800 M^-1 PYJ C8 H10 CCc1ccccc1
63 4W58 - 3H2 C11 H16 CCCCCc1ccc....
64 184L Ka = 51000 M^-1 I4B C10 H14 CC(C)Cc1cc....
65 3GUO Ka = 9150 M^-1 IPH C6 H6 O c1ccc(cc1)....
66 3HTD - JZ5 C5 H5 N O S c1cc(sc1)/....
67 3HTB Kd = 73.9 uM JZ4 C9 H12 O CCCc1ccccc....
68 187L Kd = 422 uM PXY C8 H10 Cc1ccc(cc1....
69 1OVJ - FLM C7 H8 F N Cc1c(cccc1....
70 4W55 Kd = 18 uM 3H0 C9 H12 CCCc1ccccc....
71 3GUJ Ka = 37200 M^-1 BNZ C6 H6 c1ccccc1
72 5LWO - RXR C10 H18 N O S2 CC1(C(=C(C....
73 3HU9 - NBE C6 H5 N O c1ccc(cc1)....
74 1LGW Kd = 100 uM 1AN C6 H6 F N c1ccc(c(c1....
75 3DN6 - F3B C6 Cl3 F3 c1(c(c(c(c....
76 2RB0 - 260 C7 H5 Br F2 c1cc(c(c(c....
77 2RBS - 269 C9 H11 Cl O c1ccc(cc1)....
78 2OU0 Kd = 592 uM MR3 C5 H7 N Cn1cccc1
79 3HH5 - B24 C6 H10 B N B1C=CC=CN1....
80 220L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
81 5JDT - MTN C10 H18 N O3 S2 CC1(C=C(C(....
82 1OVK - NYL C9 H11 N C=CCNc1ccc....
83 3HUK Kd = 0.35 mM J0Z C9 H10 O2 CC(=O)OCc1....
84 4W59 - 3GZ C12 H18 CCCCCCc1cc....
85 223L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
86 3GUP - 0PY C5 H5 N c1ccncc1
87 3HT7 Kd = 0.28 mM JZ1 C8 H10 O CCc1ccccc1....
88 1OWY - PRY C9 H13 N CCCc1ccccc....
89 3DN1 - BCF C6 Cl F5 c1(c(c(c(c....
90 4W56 - 3GY C10 H14 CC[C@@H](C....
91 183L Ka = 5170 M^-1 DEN C9 H8 c1ccc2c(c1....
92 2F32 Kd = 73 mM EGD C3 H9 N3 [H]/N=C(N)....
93 5JWW Ka = 20800 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
94 1OWZ - 4FA C8 H9 F O c1cc(ccc1C....
95 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
96 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
97 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
98 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
99 4I7N - 1DJ C9 H8 O C#C[C@H](c....
100 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
101 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
102 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
103 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
104 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
105 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
106 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
107 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
108 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
109 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MBN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MBN 1 1
2 PXY 0.4375 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: MBN; Similar ligands found: 613
No: Ligand Similarity coefficient
1 CYH 1.0277
2 2IM 1.0000
3 HAI 1.0000
4 CXL 1.0000
5 A2Q 1.0000
6 V1L 1.0000
7 GXE 1.0000
8 LGA 1.0000
9 9PO 1.0000
10 HRZ 1.0000
11 3AP 1.0000
12 IPH 1.0000
13 HVK 1.0000
14 WOT 1.0000
15 2AP 1.0000
16 8CL 1.0000
17 4AP 1.0000
18 HHN 0.9982
19 7EX 0.9976
20 TTO 0.9960
21 HGW 0.9905
22 93B 0.9890
23 PIH 0.9883
24 L60 0.9860
25 1CB 0.9837
26 282 0.9804
27 3MT 0.9800
28 MZY 0.9790
29 FPI 0.9789
30 MZ0 0.9782
31 BAQ 0.9773
32 3TR 0.9766
33 HYN 0.9764
34 HSL 0.9764
35 4MZ 0.9760
36 5MP 0.9755
37 MR3 0.9751
38 AMC 0.9749
39 4JU 0.9747
40 2MZ 0.9738
41 ECE 0.9736
42 AMT 0.9734
43 2MH 0.9718
44 5KX 0.9714
45 HOW 0.9710
46 DGY 0.9703
47 284 0.9703
48 DUC 0.9701
49 ATQ 0.9700
50 HPY 0.9697
51 1MZ 0.9696
52 PYF 0.9688
53 URA 0.9688
54 2AI 0.9687
55 HBX 0.9683
56 RCO 0.9682
57 GBL 0.9680
58 CRS 0.9679
59 NBE 0.9676
60 PYZ 0.9676
61 25T 0.9675
62 JZ6 0.9675
63 CEJ 0.9675
64 4XX 0.9673
65 BYZ 0.9673
66 LG3 0.9672
67 LG4 0.9671
68 MB3 0.9669
69 DA1 0.9669
70 ABN 0.9667
71 24T 0.9665
72 KSW 0.9665
73 LG5 0.9662
74 PCR 0.9661
75 26D 0.9661
76 CYT 0.9659
77 XIX 0.9658
78 ES3 0.9652
79 FPN 0.9650
80 93Q 0.9650
81 HQE 0.9646
82 SYN 0.9643
83 1DH 0.9641
84 PLQ 0.9640
85 DTI 0.9638
86 PY7 0.9637
87 25R 0.9636
88 NVI 0.9635
89 BVF 0.9634
90 CAQ 0.9633
91 MMZ 0.9628
92 2KT 0.9624
93 3CH 0.9622
94 BEW 0.9621
95 8GF 0.9616
96 8LG 0.9616
97 938 0.9612
98 4CH 0.9609
99 E60 0.9601
100 CIG 0.9599
101 HIU 0.9599
102 4HS 0.9597
103 FP2 0.9597
104 DMI 0.9592
105 BML 0.9591
106 TMZ 0.9587
107 1AN 0.9582
108 JZ0 0.9581
109 APY 0.9580
110 ICC 0.9580
111 4JN 0.9578
112 92Z 0.9576
113 HTS 0.9575
114 2CH 0.9571
115 1MR 0.9570
116 DXX 0.9570
117 285 0.9569
118 L89 0.9563
119 DMG 0.9563
120 PYJ 0.9559
121 BNZ 0.9558
122 6X8 0.9556
123 B20 0.9555
124 4H2 0.9554
125 TMT 0.9548
126 CYS 0.9544
127 4AX 0.9540
128 HEW 0.9537
129 PHZ 0.9536
130 IOL 0.9525
131 76X 0.9524
132 3ZS 0.9524
133 0PY 0.9522
134 BVC 0.9520
135 B3R 0.9511
136 M3T 0.9505
137 P1R 0.9501
138 2AF 0.9494
139 HGQ 0.9494
140 H3M 0.9492
141 280 0.9492
142 OXL 0.9492
143 9CL 0.9488
144 BVG 0.9486
145 6SP 0.9486
146 J1Z 0.9484
147 3PY 0.9477
148 3ZQ 0.9471
149 DSN 0.9469
150 OXM 0.9465
151 HVQ 0.9461
152 IDH 0.9460
153 VAL 0.9452
154 OXE 0.9450
155 HHQ 0.9447
156 MLA 0.9447
157 KG7 0.9446
158 GOL 0.9446
159 B24 0.9440
160 1PT 0.9434
161 OXD 0.9426
162 MLI 0.9425
163 SER 0.9423
164 URF 0.9421
165 278 0.9414
166 3OH 0.9401
167 PYR 0.9400
168 LAC 0.9383
169 40O 0.9377
170 JZ3 0.9375
171 MCT 0.9373
172 MAK 0.9372
173 MLM 0.9371
174 GVH 0.9371
175 RSF 0.9370
176 3MC 0.9369
177 MBD 0.9361
178 4JP 0.9356
179 NK 0.9356
180 1MC 0.9346
181 A1U 0.9341
182 2EZ 0.9340
183 PYG 0.9340
184 TDR 0.9337
185 QOS 0.9337
186 PYD 0.9336
187 ICP 0.9336
188 MPI 0.9333
189 3FA 0.9331
190 IND 0.9330
191 YAN 0.9330
192 WBU 0.9329
193 C5J 0.9326
194 BZF 0.9326
195 0R1 0.9325
196 BZI 0.9325
197 2AC 0.9323
198 RP7 0.9322
199 FPY 0.9320
200 KIV 0.9319
201 0CT 0.9318
202 LZ1 0.9317
203 TM4 0.9316
204 4CL 0.9316
205 4ZE 0.9313
206 2C9 0.9313
207 4HO 0.9301
208 6MH 0.9301
209 DEN 0.9301
210 0R0 0.9299
211 4DX 0.9298
212 MWM 0.9294
213 FFP 0.9293
214 R8A 0.9293
215 3CE 0.9291
216 GMN 0.9287
217 27Y 0.9286
218 XYD 0.9286
219 BR9 0.9285
220 TM7 0.9285
221 ALA 0.9283
222 4JJ 0.9282
223 MZG 0.9280
224 ABA 0.9279
225 HGY 0.9278
226 JZ2 0.9278
227 FLM 0.9275
228 34A 0.9273
229 2MY 0.9272
230 2OP 0.9270
231 2MP 0.9268
232 XBZ 0.9266
233 PYM 0.9262
234 HT4 0.9260
235 SMB 0.9254
236 DUB 0.9253
237 PRI 0.9252
238 MWJ 0.9251
239 1DU 0.9243
240 IDM 0.9240
241 XYP 0.9238
242 DAL 0.9235
243 2CM 0.9231
244 5JC 0.9230
245 2RA 0.9229
246 03W 0.9228
247 9X7 0.9227
248 1AC 0.9226
249 BAL 0.9223
250 DCY 0.9219
251 FOA 0.9219
252 TH0 0.9218
253 A3B 0.9218
254 DBB 0.9218
255 5Y9 0.9217
256 P2D 0.9216
257 4JO 0.9214
258 5UC 0.9209
259 YHO 0.9208
260 3MH 0.9206
261 LXC 0.9205
262 JBN 0.9201
263 2YU 0.9199
264 OHG 0.9196
265 PYC 0.9195
266 BUO 0.9194
267 OXQ 0.9192
268 MEU 0.9187
269 MMU 0.9187
270 HUI 0.9183
271 43M 0.9180
272 HBA 0.9180
273 BP9 0.9180
274 IUR 0.9175
275 AX2 0.9175
276 BEZ 0.9175
277 YCP 0.9175
278 5MH 0.9170
279 PRO 0.9165
280 NEQ 0.9164
281 BEN 0.9163
282 3AY 0.9162
283 JZ1 0.9162
284 286 0.9160
285 NCA 0.9158
286 5ZE 0.9155
287 0TR 0.9155
288 Y8I 0.9154
289 23W 0.9152
290 94N 0.9147
291 WDL 0.9146
292 SMV 0.9144
293 2ZX 0.9143
294 XYS 0.9140
295 MZW 0.9135
296 5AN 0.9132
297 NIO 0.9131
298 6UA 0.9129
299 7CZ 0.9128
300 5AC 0.9127
301 AHR 0.9123
302 VGL 0.9122
303 GAG 0.9122
304 GBD 0.9121
305 THR 0.9121
306 NBZ 0.9120
307 PZA 0.9120
308 39J 0.9119
309 TZC 0.9119
310 2DR 0.9118
311 1XX 0.9115
312 275 0.9115
313 2PC 0.9112
314 6PC 0.9111
315 265 0.9109
316 NAK 0.9107
317 2HA 0.9107
318 13X 0.9106
319 LDU 0.9104
320 TLD 0.9103
321 TP5 0.9095
322 HY3 0.9095
323 MLT 0.9094
324 4VP 0.9092
325 BAM 0.9092
326 PHB 0.9087
327 JAB 0.9086
328 ERH 0.9086
329 TFB 0.9081
330 JZ9 0.9080
331 NIS 0.9078
332 SAR 0.9077
333 BUA 0.9075
334 M58 0.9074
335 NTN 0.9067
336 RIB 0.9063
337 ALO 0.9060
338 BR8 0.9059
339 C2A 0.9057
340 3GR 0.9055
341 UNU 0.9054
342 HBS 0.9050
343 IT2 0.9048
344 JZ5 0.9047
345 4JL 0.9047
346 SS2 0.9046
347 H8N 0.9040
348 C2B 0.9040
349 273 0.9039
350 C21 0.9037
351 EGD 0.9036
352 C2N 0.9032
353 GOA 0.9026
354 R2B 0.9022
355 PBC 0.9015
356 NCM 0.9014
357 RIP 0.9012
358 FBA 0.9010
359 AC0 0.9006
360 23A 0.9005
361 QSC 0.8997
362 DFB 0.8992
363 R1X 0.8991
364 1AB 0.8990
365 HAE 0.8986
366 60P 0.8985
367 GLV 0.8984
368 BAE 0.8984
369 HSM 0.8982
370 192 0.8980
371 ADE 0.8979
372 4JM 0.8979
373 TCZ 0.8978
374 IFM 0.8977
375 AKR 0.8975
376 4XR 0.8973
377 AAE 0.8970
378 HSE 0.8970
379 9DA 0.8969
380 PPI 0.8969
381 GXV 0.8967
382 LER 0.8964
383 FAH 0.8962
384 HPA 0.8960
385 FUC 0.8957
386 47J 0.8956
387 IMR 0.8956
388 BU4 0.8953
389 0MK 0.8952
390 6MP 0.8948
391 BNS 0.8944
392 T2C 0.8940
393 EDG 0.8937
394 7HP 0.8937
395 DAB 0.8935
396 9HX 0.8933
397 BUQ 0.8932
398 ALQ 0.8932
399 64K 0.8930
400 NHY 0.8928
401 AZF 0.8928
402 P3K 0.8926
403 FW5 0.8925
404 GLY 0.8919
405 10L 0.8918
406 MRY 0.8916
407 PM6 0.8915
408 PAE 0.8914
409 MAE 0.8914
410 ARA 0.8913
411 MGX 0.8909
412 FUL 0.8909
413 HCS 0.8906
414 9TY 0.8906
415 M2H 0.8906
416 FAN 0.8902
417 SS1 0.8900
418 7WA 0.8899
419 PRS 0.8898
420 NVA 0.8895
421 NMU 0.8895
422 NIE 0.8895
423 F50 0.8895
424 ES4 0.8894
425 AKB 0.8894
426 BMD 0.8893
427 BP1 0.8892
428 RSO 0.8889
429 ARB 0.8883
430 CP 0.8882
431 SWD 0.8882
432 BTE 0.8880
433 9YL 0.8879
434 BE2 0.8879
435 61G 0.8877
436 F81 0.8871
437 O7U 0.8871
438 JIF 0.8870
439 35C 0.8870
440 HVB 0.8870
441 P92 0.8870
442 OXZ 0.8869
443 CHT 0.8865
444 FLA 0.8865
445 270 0.8865
446 AGU 0.8863
447 ASP 0.8863
448 2A1 0.8860
449 4SV 0.8859
450 F3V 0.8857
451 2HE 0.8857
452 AOA 0.8855
453 LMR 0.8854
454 DTL 0.8852
455 HDA 0.8847
456 BZX 0.8845
457 69O 0.8844
458 DPR 0.8844
459 2MI 0.8842
460 ITU 0.8841
461 IQ0 0.8837
462 7MH 0.8834
463 3Z7 0.8832
464 PZO 0.8830
465 PCA 0.8829
466 R3W 0.8827
467 IMD 0.8827
468 OAA 0.8826
469 YTB 0.8826
470 SAL 0.8825
471 DFU 0.8825
472 JBE 0.8822
473 CRN 0.8819
474 6AI 0.8817
475 RUU 0.8817
476 F05 0.8816
477 HUH 0.8812
478 TF4 0.8811
479 AX7 0.8810
480 KYD 0.8808
481 1WD 0.8808
482 IP0 0.8806
483 T6C 0.8804
484 SSN 0.8800
485 TRI 0.8796
486 DTU 0.8795
487 ITN 0.8795
488 VNJ 0.8793
489 NMJ 0.8790
490 3XX 0.8790
491 51F 0.8786
492 AGK 0.8781
493 24B 0.8780
494 HMH 0.8778
495 3U4 0.8775
496 FYU 0.8775
497 PEL 0.8775
498 SEJ 0.8773
499 14J 0.8772
500 HLR 0.8769
501 SIN 0.8767
502 3SK 0.8764
503 40E 0.8764
504 8H8 0.8763
505 9EW 0.8762
506 CEE 0.8761
507 ATO 0.8760
508 QUZ 0.8760
509 3HR 0.8758
510 TBP 0.8756
511 ZZT 0.8755
512 6HQ 0.8754
513 KOJ 0.8753
514 3HL 0.8751
515 ABE 0.8751
516 TSZ 0.8749
517 SLP 0.8749
518 UY7 0.8748
519 2A7 0.8743
520 PXO 0.8743
521 5MI 0.8742
522 PEA 0.8742
523 MTG 0.8740
524 FUF 0.8740
525 S76 0.8739
526 GIF 0.8739
527 JZ7 0.8737
528 5H1 0.8737
529 SVN 0.8735
530 8NY 0.8735
531 ES6 0.8734
532 271 0.8731
533 HY1 0.8730
534 CIZ 0.8730
535 NPY 0.8728
536 SGL 0.8725
537 2K4 0.8724
538 5MB 0.8724
539 H4N 0.8721
540 TAY 0.8719
541 HLT 0.8713
542 14O 0.8712
543 FK1 0.8711
544 ABV 0.8708
545 FJO 0.8708
546 PBE 0.8705
547 ES9 0.8702
548 H76 0.8701
549 F60 0.8698
550 261 0.8697
551 4ZC 0.8696
552 HX3 0.8695
553 L3Q 0.8695
554 MRZ 0.8694
555 11S 0.8691
556 1DW 0.8686
557 7WG 0.8684
558 32O 0.8683
559 CXF 0.8682
560 0RW 0.8681
561 260 0.8674
562 JAE 0.8673
563 FCA 0.8670
564 NPO 0.8668
565 ALF 0.8667
566 BXA 0.8658
567 BRP 0.8656
568 ZZ3 0.8655
569 45C 0.8654
570 1DQ 0.8648
571 FP1 0.8647
572 HYP 0.8647
573 7WV 0.8646
574 JKE 0.8645
575 CSS 0.8643
576 HMU 0.8642
577 ASN 0.8640
578 150 0.8640
579 1WG 0.8639
580 2CQ 0.8635
581 D2P 0.8632
582 HV2 0.8630
583 ABU 0.8628
584 TZE 0.8627
585 3NT 0.8626
586 NSP 0.8625
587 FUB 0.8624
588 J3K 0.8620
589 TH7 0.8619
590 8GC 0.8616
591 IHG 0.8613
592 2CK 0.8612
593 5HN 0.8606
594 XM0 0.8602
595 TC7 0.8599
596 FCN 0.8596
597 Z6J 0.8593
598 TCV 0.8592
599 3AB 0.8585
600 F4Z 0.8581
601 XPO 0.8580
602 3HB 0.8577
603 MSF 0.8576
604 GAB 0.8571
605 BTL 0.8568
606 Z82 0.8568
607 FQI 0.8567
608 WCE 0.8566
609 OVV 0.8565
610 PAV 0.8563
611 R8S 0.8556
612 6M9 0.8532
613 717 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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