Receptor
PDB id Resolution Class Description Source Keywords
1LGX 1.9 Å EC: 3.2.1.17 T4 LYSOZYME MUTANT L99A/M102Q BOUND BY 3,5-DIFLUOROANILINE ENTEROBACTERIA PHAGE T4 GLYCOSIDASE BACTERIOLYTIC ENZYME HYDROLASE
Ref.: A MODEL BINDING SITE FOR TESTING SCORING FUNCTIONS IN MOLECULAR DOCKING J.MOL.BIOL. V. 322 339 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5AN A:401;
Valid;
none;
submit data
129.107 C6 H5 F2 N c1c(c...
BME A:169;
A:170;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
CL A:173;
A:178;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
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: 5AN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5AN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5AN; Similar ligands found: 593
No: Ligand Similarity coefficient
1 13X 1.0000
2 6UA 1.0000
3 AX2 1.0000
4 5ZE 1.0000
5 ERH 1.0000
6 WDL 1.0000
7 3AY 1.0000
8 BR8 1.0000
9 2ZX 0.9920
10 TCZ 0.9907
11 2DR 0.9779
12 JIF 0.9770
13 CRS 0.9723
14 284 0.9704
15 7MH 0.9665
16 RCO 0.9660
17 26D 0.9659
18 LG3 0.9655
19 URA 0.9648
20 JFD 0.9644
21 S76 0.9630
22 CYT 0.9623
23 2A7 0.9611
24 8GF 0.9609
25 LG5 0.9587
26 AUD 0.9575
27 3CH 0.9567
28 9HX 0.9549
29 DUC 0.9546
30 CIG 0.9545
31 XYP 0.9542
32 HPA 0.9538
33 BTE 0.9530
34 9DA 0.9522
35 BVF 0.9520
36 M3T 0.9516
37 JZ3 0.9494
38 DUB 0.9493
39 ADE 0.9488
40 7HP 0.9484
41 PYG 0.9478
42 ZZ3 0.9477
43 47J 0.9476
44 4H2 0.9470
45 B3R 0.9465
46 PM6 0.9464
47 3FA 0.9462
48 HGQ 0.9454
49 12M 0.9430
50 2MY 0.9426
51 6MH 0.9422
52 IDH 0.9421
53 25W 0.9421
54 MBD 0.9420
55 HEW 0.9420
56 10L 0.9414
57 ES4 0.9408
58 2CM 0.9404
59 FFP 0.9403
60 6MP 0.9398
61 FLM 0.9398
62 BP1 0.9395
63 2C9 0.9394
64 TM4 0.9387
65 HPY 0.9375
66 TDR 0.9375
67 URF 0.9370
68 IGA 0.9358
69 1MC 0.9355
70 ADK 0.9354
71 3MA 0.9354
72 GUN 0.9354
73 HHQ 0.9350
74 ICP 0.9344
75 35C 0.9340
76 3MC 0.9339
77 2AC 0.9338
78 XYD 0.9337
79 7WA 0.9334
80 GMN 0.9333
81 CXL 0.9330
82 290 0.9329
83 GIO 0.9326
84 XAN 0.9322
85 CYH 0.9321
86 R8A 0.9320
87 6AP 0.9318
88 F5B 0.9318
89 WBU 0.9317
90 9DG 0.9314
91 4ZE 0.9314
92 XBZ 0.9313
93 MCT 0.9307
94 DX4 0.9306
95 RSF 0.9303
96 A2F 0.9301
97 4HO 0.9299
98 275 0.9299
99 285 0.9299
100 PYD 0.9293
101 AZG 0.9290
102 JZ2 0.9286
103 34A 0.9285
104 2MP 0.9283
105 AZA 0.9282
106 5UC 0.9274
107 G6D 0.9274
108 4CL 0.9271
109 3MH 0.9267
110 BOA 0.9262
111 6GU 0.9261
112 4JJ 0.9259
113 M2H 0.9256
114 YH7 0.9253
115 2YU 0.9252
116 CFP 0.9252
117 TH0 0.9250
118 94N 0.9247
119 43M 0.9243
120 4JO 0.9243
121 ORO 0.9241
122 141 0.9240
123 H3M 0.9239
124 5MH 0.9237
125 3CE 0.9237
126 1XM 0.9230
127 1XN 0.9219
128 RM4 0.9214
129 R8S 0.9213
130 LXC 0.9213
131 3Z7 0.9212
132 SWD 0.9211
133 BCP 0.9207
134 G3F 0.9206
135 IUR 0.9203
136 GBD 0.9202
137 HAI 0.9188
138 OXC 0.9187
139 0CU 0.9183
140 RNS 0.9182
141 NK 0.9180
142 II6 0.9178
143 BGC 0.9177
144 IPH 0.9174
145 V1L 0.9169
146 286 0.9168
147 OXQ 0.9165
148 34D 0.9162
149 JBE 0.9161
150 RP7 0.9161
151 AW5 0.9155
152 EXO 0.9155
153 AHR 0.9152
154 GCS 0.9152
155 2CH 0.9151
156 8S0 0.9150
157 GLC 0.9148
158 4AP 0.9147
159 TLD 0.9147
160 MWJ 0.9146
161 HH5 0.9145
162 JZ0 0.9145
163 DFB 0.9145
164 IPZ 0.9144
165 3AP 0.9143
166 0R0 0.9142
167 C2A 0.9141
168 GAG 0.9137
169 280 0.9137
170 HSL 0.9135
171 ES6 0.9134
172 WOT 0.9134
173 MMZ 0.9133
174 9PO 0.9133
175 IFM 0.9133
176 MBN 0.9132
177 6X8 0.9130
178 FUF 0.9128
179 HRZ 0.9127
180 3U4 0.9127
181 DOR 0.9127
182 OXE 0.9123
183 93Q 0.9121
184 HTS 0.9121
185 HVK 0.9120
186 SAL 0.9119
187 P3K 0.9118
188 BE2 0.9116
189 2AP 0.9115
190 D1X 0.9114
191 278 0.9111
192 4SV 0.9110
193 FUL 0.9110
194 5AC 0.9108
195 938 0.9107
196 DTI 0.9106
197 60P 0.9101
198 LGA 0.9100
199 2IM 0.9098
200 ICC 0.9094
201 1WD 0.9082
202 8LG 0.9077
203 Q88 0.9075
204 CWM 0.9074
205 MFB 0.9070
206 BEW 0.9067
207 ISE 0.9067
208 XYS 0.9066
209 A2Q 0.9065
210 HY3 0.9064
211 ES0 0.9061
212 RIP 0.9058
213 1AN 0.9055
214 MB3 0.9055
215 FP2 0.9053
216 4ZC 0.9049
217 282 0.9049
218 O7U 0.9049
219 A1U 0.9049
220 8CL 0.9048
221 KYD 0.9047
222 ECE 0.9046
223 GXE 0.9046
224 KSW 0.9044
225 CAQ 0.9042
226 1XX 0.9041
227 DXX 0.9040
228 FUC 0.9040
229 GAL 0.9036
230 64K 0.9036
231 MLT 0.9034
232 RIB 0.9033
233 M1E 0.9032
234 SYN 0.9032
235 KIA 0.9031
236 FCB 0.9030
237 XXR 0.9030
238 NMJ 0.9030
239 FPK 0.9030
240 5CL 0.9027
241 NBE 0.9026
242 JKE 0.9025
243 FPI 0.9023
244 TTO 0.9017
245 ARB 0.9015
246 FYU 0.9013
247 7HQ 0.9012
248 SEJ 0.9011
249 QOS 0.9009
250 UNC 0.9008
251 23A 0.9008
252 DMI 0.9007
253 ARA 0.9005
254 0CT 0.9004
255 F81 0.9003
256 C2U 0.9003
257 INS 0.9003
258 7EX 0.9000
259 0MK 0.8997
260 HBX 0.8997
261 PIH 0.8992
262 G4D 0.8992
263 KIB 0.8991
264 7WV 0.8990
265 RAM 0.8990
266 HHN 0.8989
267 NEQ 0.8989
268 ABN 0.8987
269 5M0 0.8987
270 PYF 0.8986
271 PHT 0.8986
272 OXZ 0.8984
273 4CS 0.8984
274 HQY 0.8983
275 AS3 0.8980
276 5Q0 0.8977
277 BR9 0.8976
278 DIE 0.8974
279 7CZ 0.8974
280 DGY 0.8973
281 4JP 0.8972
282 H76 0.8972
283 149 0.8970
284 APY 0.8966
285 7NI 0.8964
286 GVH 0.8963
287 5IQ 0.8963
288 HGW 0.8959
289 XQG 0.8959
290 4XR 0.8957
291 27Y 0.8956
292 DPF 0.8955
293 24T 0.8954
294 2FG 0.8953
295 9MG 0.8951
296 23W 0.8949
297 TMT 0.8947
298 IND 0.8944
299 5SG 0.8944
300 1NP 0.8944
301 92Z 0.8944
302 GLA 0.8941
303 DFU 0.8940
304 9TY 0.8940
305 F05 0.8939
306 ZZT 0.8937
307 JZ1 0.8934
308 TMZ 0.8934
309 5RG 0.8934
310 0R1 0.8934
311 N5J 0.8933
312 IJZ 0.8933
313 L60 0.8932
314 9EW 0.8932
315 1LM 0.8931
316 HJP 0.8930
317 MPI 0.8930
318 ES1 0.8927
319 HZQ 0.8926
320 HYN 0.8926
321 NTM 0.8926
322 BMA 0.8926
323 SVN 0.8924
324 B53 0.8922
325 BZI 0.8922
326 6CS 0.8921
327 3XX 0.8919
328 VNJ 0.8918
329 LZ1 0.8914
330 1MR 0.8914
331 39A 0.8912
332 HMH 0.8912
333 8GC 0.8910
334 FPY 0.8908
335 FOT 0.8908
336 24W 0.8907
337 BZF 0.8906
338 BCF 0.8905
339 0TR 0.8903
340 AMC 0.8901
341 I3A 0.8899
342 HFB 0.8899
343 2XX 0.8895
344 LGC 0.8894
345 IP0 0.8892
346 261 0.8892
347 3F0 0.8890
348 5HN 0.8889
349 1DW 0.8889
350 HLR 0.8888
351 Q6T 0.8887
352 DEN 0.8886
353 KLW 0.8884
354 54G 0.8884
355 E60 0.8882
356 4XX 0.8882
357 PY7 0.8882
358 F3B 0.8881
359 93B 0.8880
360 AZF 0.8879
361 HH8 0.8877
362 GAB 0.8876
363 EV0 0.8875
364 V55 0.8874
365 HMU 0.8872
366 IBF 0.8872
367 EQT 0.8869
368 IDM 0.8869
369 AKH 0.8868
370 ZWZ 0.8866
371 F0J 0.8866
372 BBF 0.8866
373 GTQ 0.8865
374 3M0 0.8865
375 2H5 0.8865
376 DHK 0.8864
377 M1A 0.8863
378 YHO 0.8862
379 AGK 0.8857
380 JZ9 0.8856
381 6HQ 0.8851
382 4XH 0.8851
383 FCA 0.8850
384 B55 0.8850
385 6AI 0.8848
386 MAN 0.8847
387 5MK 0.8846
388 260 0.8843
389 67N 0.8841
390 GIV 0.8840
391 8IG 0.8839
392 CEJ 0.8839
393 4AX 0.8837
394 3NT 0.8837
395 3AB 0.8837
396 HX3 0.8834
397 N8P 0.8834
398 N7P 0.8833
399 MFU 0.8833
400 FP1 0.8833
401 ADZ 0.8832
402 3SK 0.8832
403 51F 0.8832
404 BZX 0.8830
405 53C 0.8829
406 2AF 0.8829
407 URQ 0.8828
408 9TZ 0.8825
409 2D0 0.8824
410 GIF 0.8822
411 3RK 0.8820
412 PXL 0.8819
413 SER 0.8819
414 3HB 0.8816
415 PYJ 0.8816
416 SHG 0.8814
417 0RW 0.8813
418 TFU 0.8812
419 YIO 0.8812
420 7B4 0.8811
421 1GN 0.8811
422 40O 0.8809
423 WCE 0.8808
424 B24 0.8805
425 HLZ 0.8800
426 SX1 0.8798
427 ASP 0.8798
428 LSA 0.8795
429 8TX 0.8792
430 MSN 0.8792
431 CIZ 0.8791
432 ITN 0.8791
433 JBK 0.8788
434 329 0.8787
435 42C 0.8786
436 URC 0.8784
437 DBH 0.8784
438 42A 0.8783
439 R2B 0.8781
440 OVV 0.8781
441 UEG 0.8780
442 YSO 0.8777
443 PCI 0.8777
444 LZM 0.8775
445 270 0.8772
446 3DM 0.8770
447 7VS 0.8770
448 PE0 0.8770
449 32O 0.8768
450 7VJ 0.8767
451 3HA 0.8767
452 5WX 0.8765
453 GYE 0.8765
454 12B 0.8762
455 MBG 0.8762
456 DQN 0.8761
457 GDE 0.8754
458 FDB 0.8753
459 1WG 0.8753
460 CYS 0.8752
461 B2J 0.8750
462 5JL 0.8748
463 75K 0.8745
464 3OC 0.8744
465 BEN 0.8743
466 OEM 0.8741
467 FPN 0.8741
468 3BZ 0.8740
469 HQE 0.8740
470 DIU 0.8740
471 2AL 0.8739
472 PLQ 0.8737
473 3MB 0.8736
474 3ZQ 0.8736
475 GRE 0.8734
476 CRN 0.8732
477 DSN 0.8731
478 9CL 0.8731
479 QWW 0.8730
480 NBZ 0.8729
481 6M4 0.8729
482 L89 0.8728
483 TC7 0.8726
484 BEZ 0.8726
485 XIX 0.8726
486 MAK 0.8724
487 25R 0.8724
488 X6X 0.8724
489 QX2 0.8723
490 DA1 0.8721
491 PZA 0.8720
492 NCA 0.8720
493 150 0.8720
494 F4Z 0.8720
495 PCR 0.8719
496 LMR 0.8718
497 SF9 0.8716
498 AZ8 0.8715
499 5H1 0.8715
500 QPR 0.8714
501 LG4 0.8708
502 BRT 0.8708
503 MO8 0.8707
504 PXY 0.8706
505 KBG 0.8705
506 TZE 0.8697
507 M6N 0.8695
508 5JQ 0.8693
509 FE DB1 0.8693
510 LRH 0.8693
511 6LW 0.8691
512 M5K 0.8689
513 BTY 0.8689
514 HIU 0.8687
515 M0Q 0.8684
516 Q24 0.8684
517 MEW 0.8682
518 DTL 0.8681
519 2CQ 0.8680
520 4M4 0.8678
521 6M9 0.8678
522 F60 0.8678
523 5MI 0.8677
524 M0W 0.8674
525 J1Z 0.8674
526 76X 0.8674
527 NIO 0.8673
528 JFJ 0.8672
529 6PC 0.8672
530 2ZV 0.8672
531 P92 0.8672
532 ABE 0.8670
533 6F0 0.8669
534 GOO 0.8667
535 D07 0.8666
536 KOJ 0.8665
537 4JN 0.8664
538 4CH 0.8662
539 RUU 0.8662
540 BAM 0.8661
541 4HC 0.8660
542 3IT 0.8656
543 AQO 0.8655
544 1LN 0.8654
545 BML 0.8653
546 J9W 0.8652
547 25T 0.8650
548 5MB 0.8649
549 ES9 0.8649
550 G5V 0.8646
551 2KT 0.8646
552 FK1 0.8642
553 4HS 0.8642
554 45C 0.8640
555 5NU 0.8640
556 EDG 0.8638
557 M1Q 0.8636
558 UAN 0.8630
559 82I 0.8618
560 2MI 0.8616
561 H4N 0.8615
562 AX7 0.8614
563 6JN 0.8613
564 GXL 0.8613
565 HUI 0.8609
566 HHA 0.8608
567 IOL 0.8608
568 2K4 0.8607
569 M1H 0.8607
570 14O 0.8603
571 JBQ 0.8595
572 11S 0.8593
573 YAN 0.8590
574 5CU 0.8585
575 VNL 0.8583
576 MZW 0.8580
577 M58 0.8577
578 AJ2 0.8576
579 UNU 0.8571
580 DMJ 0.8568
581 6M1 0.8565
582 NPY 0.8550
583 QBK 0.8545
584 MJ2 0.8542
585 NTN 0.8539
586 KG7 0.8527
587 QSH 0.8525
588 4M0 0.8523
589 FA0 0.8523
590 2MN 0.8522
591 SS2 0.8520
592 QUZ 0.8519
593 QSC 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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