Receptor
PDB id Resolution Class Description Source Keywords
1lgw 1.85 Å EC: 3.2.1.17 T4 LYSOZYME MUTANT L99A/M102Q BOUND BY 2-FLUOROANILINE 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
1AN A:401;
Valid;
none;
Kd = 100 uM
111.117 C6 H6 F N c1ccc...
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: 1AN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1AN 1 1
2 FLM 0.428571 0.947368
Similar Ligands (3D)
Ligand no: 1; Ligand: 1AN; Similar ligands found: 674
No: Ligand Similarity coefficient
1 3ZQ 1.0266
2 40O 1.0000
3 JZ0 1.0000
4 FP2 1.0000
5 L89 1.0000
6 93Q 1.0000
7 2AF 1.0000
8 8LG 1.0000
9 76X 1.0000
10 92Z 1.0000
11 2CH 1.0000
12 OXE 1.0000
13 CAQ 1.0000
14 938 0.9983
15 HTS 0.9977
16 BEW 0.9945
17 YAN 0.9883
18 6X8 0.9873
19 MB3 0.9811
20 V1L 0.9779
21 KSW 0.9772
22 HSL 0.9770
23 MMZ 0.9762
24 0TR 0.9756
25 DTI 0.9748
26 285 0.9730
27 XYP 0.9715
28 7CZ 0.9700
29 WBU 0.9698
30 URF 0.9696
31 3MC 0.9683
32 LXC 0.9673
33 TDR 0.9673
34 5UC 0.9669
35 1PT 0.9667
36 1MC 0.9656
37 MWM 0.9654
38 H3M 0.9652
39 PYD 0.9651
40 ICP 0.9651
41 4ZE 0.9651
42 CYT 0.9649
43 DMI 0.9647
44 284 0.9645
45 RSF 0.9643
46 MCT 0.9642
47 IPH 0.9639
48 NK 0.9638
49 JZ3 0.9637
50 DUC 0.9632
51 CRS 0.9631
52 4XX 0.9630
53 URA 0.9626
54 A2Q 0.9624
55 QOS 0.9624
56 A1U 0.9624
57 RCO 0.9623
58 4AX 0.9620
59 26D 0.9616
60 LG3 0.9614
61 280 0.9614
62 HVK 0.9608
63 TH0 0.9604
64 8GF 0.9604
65 9PO 0.9599
66 XYD 0.9598
67 XBZ 0.9595
68 3FA 0.9590
69 CXL 0.9588
70 FFP 0.9586
71 3CH 0.9586
72 MBN 0.9582
73 43M 0.9581
74 HRZ 0.9581
75 LGA 0.9580
76 2MP 0.9579
77 MBD 0.9578
78 2AP 0.9578
79 PYG 0.9577
80 GMN 0.9577
81 2AC 0.9575
82 TMT 0.9573
83 TMZ 0.9570
84 4HO 0.9570
85 2C9 0.9569
86 34A 0.9566
87 LG5 0.9566
88 0R0 0.9566
89 TM7 0.9563
90 2IM 0.9561
91 CYH 0.9557
92 5MH 0.9557
93 BVF 0.9556
94 4JO 0.9556
95 3AP 0.9550
96 GXE 0.9548
97 MWJ 0.9548
98 4CL 0.9548
99 WOT 0.9539
100 27Y 0.9539
101 BR9 0.9537
102 4AP 0.9535
103 DXX 0.9534
104 R8A 0.9532
105 4JJ 0.9531
106 2MY 0.9531
107 HPY 0.9528
108 MZG 0.9527
109 CIG 0.9526
110 J1Z 0.9521
111 2YU 0.9521
112 JZ1 0.9517
113 0CT 0.9514
114 XYS 0.9513
115 HT4 0.9511
116 AHR 0.9511
117 3CE 0.9508
118 JZ2 0.9508
119 ECE 0.9506
120 B3R 0.9501
121 1XX 0.9497
122 286 0.9494
123 5JC 0.9493
124 HGQ 0.9492
125 NEQ 0.9492
126 GVH 0.9488
127 TM4 0.9486
128 2CM 0.9480
129 FPY 0.9479
130 7EX 0.9478
131 DEN 0.9477
132 6MH 0.9476
133 8CL 0.9475
134 3MH 0.9470
135 IUR 0.9468
136 IND 0.9462
137 BZF 0.9460
138 TTO 0.9459
139 HAI 0.9454
140 4JP 0.9451
141 HEW 0.9451
142 BZI 0.9449
143 0R1 0.9444
144 DUB 0.9442
145 HYN 0.9433
146 M3T 0.9433
147 ICC 0.9431
148 CEJ 0.9422
149 FPN 0.9422
150 TLD 0.9419
151 PLQ 0.9418
152 HQE 0.9418
153 MPI 0.9417
154 2MH 0.9415
155 L60 0.9415
156 IDH 0.9407
157 LZ1 0.9406
158 64K 0.9400
159 4H2 0.9399
160 IDM 0.9397
161 Y8I 0.9397
162 0MK 0.9397
163 24T 0.9395
164 DA1 0.9394
165 HHN 0.9394
166 YHO 0.9386
167 F05 0.9385
168 ARA 0.9384
169 25R 0.9379
170 PCR 0.9374
171 275 0.9372
172 4CH 0.9372
173 93B 0.9370
174 LG4 0.9368
175 ADE 0.9367
176 HHQ 0.9366
177 RIP 0.9364
178 PXY 0.9363
179 HIU 0.9361
180 9EW 0.9359
181 YTB 0.9357
182 1WG 0.9357
183 FUC 0.9356
184 PIH 0.9355
185 150 0.9349
186 4DX 0.9348
187 DGY 0.9344
188 HLR 0.9344
189 KG7 0.9342
190 7WA 0.9342
191 2KT 0.9341
192 9HX 0.9336
193 9DA 0.9334
194 XIX 0.9334
195 SVN 0.9333
196 HPA 0.9331
197 BTE 0.9326
198 BP1 0.9317
199 DSN 0.9314
200 7HP 0.9312
201 FOA 0.9312
202 GBD 0.9311
203 OXL 0.9307
204 MAK 0.9307
205 6MP 0.9305
206 45C 0.9303
207 HGW 0.9301
208 OXM 0.9301
209 4HS 0.9299
210 PM6 0.9296
211 E60 0.9295
212 ARB 0.9294
213 DMG 0.9293
214 OXQ 0.9282
215 JZ9 0.9280
216 ES4 0.9279
217 2OP 0.9279
218 10L 0.9278
219 2CQ 0.9273
220 MLT 0.9263
221 0RW 0.9262
222 24B 0.9262
223 NIS 0.9261
224 6UA 0.9261
225 4JN 0.9261
226 PYR 0.9252
227 ABN 0.9252
228 BML 0.9247
229 3Z7 0.9247
230 WDL 0.9243
231 HGY 0.9241
232 F4Z 0.9240
233 PYC 0.9240
234 25W 0.9235
235 L3Q 0.9235
236 282 0.9232
237 LAC 0.9232
238 278 0.9228
239 23A 0.9227
240 SWD 0.9226
241 94N 0.9225
242 HY3 0.9224
243 CYS 0.9222
244 25T 0.9221
245 DAB 0.9219
246 AX2 0.9218
247 FPI 0.9218
248 4JU 0.9216
249 PRO 0.9216
250 TC7 0.9215
251 KIV 0.9215
252 IOL 0.9213
253 G6D 0.9213
254 OXD 0.9209
255 SEJ 0.9209
256 ZZT 0.9208
257 DAL 0.9208
258 265 0.9207
259 13X 0.9205
260 SYN 0.9202
261 3AY 0.9202
262 PYF 0.9202
263 MLA 0.9199
264 FUL 0.9198
265 ALA 0.9197
266 1AC 0.9195
267 FYU 0.9194
268 MLI 0.9193
269 0PY 0.9191
270 ABE 0.9190
271 BNZ 0.9190
272 SAL 0.9187
273 DFU 0.9187
274 B20 0.9186
275 BR8 0.9186
276 6M4 0.9183
277 NBE 0.9183
278 6HQ 0.9182
279 HBX 0.9175
280 260 0.9175
281 SER 0.9175
282 HMH 0.9172
283 JBE 0.9171
284 8H8 0.9170
285 GAG 0.9170
286 2ZX 0.9169
287 PHZ 0.9169
288 5ZE 0.9165
289 XXR 0.9165
290 MZ0 0.9165
291 5AC 0.9162
292 1MR 0.9160
293 MLM 0.9151
294 2DR 0.9148
295 2RA 0.9145
296 GOL 0.9144
297 1DH 0.9141
298 3PY 0.9140
299 4ZC 0.9139
300 AMT 0.9136
301 C5J 0.9136
302 47J 0.9135
303 YCP 0.9132
304 3U4 0.9130
305 TZC 0.9122
306 2PC 0.9120
307 NBZ 0.9120
308 JIF 0.9120
309 BE2 0.9119
310 DFB 0.9118
311 BAQ 0.9117
312 4SV 0.9116
313 JAB 0.9115
314 A3B 0.9112
315 DBB 0.9112
316 PY7 0.9110
317 FCA 0.9110
318 P1R 0.9109
319 PYM 0.9107
320 BEZ 0.9107
321 T6C 0.9104
322 NSP 0.9100
323 APY 0.9100
324 9TY 0.9100
325 6AI 0.9100
326 M2H 0.9099
327 PYJ 0.9098
328 TP5 0.9098
329 ALO 0.9096
330 6M9 0.9094
331 VAL 0.9093
332 BZX 0.9092
333 JBN 0.9092
334 BEN 0.9092
335 NPY 0.9091
336 3TR 0.9090
337 HMU 0.9090
338 QUZ 0.9088
339 JFD 0.9088
340 3MT 0.9087
341 BUO 0.9086
342 GBL 0.9080
343 5Y9 0.9077
344 3XX 0.9076
345 1WD 0.9076
346 NAK 0.9070
347 RIB 0.9069
348 6PC 0.9069
349 IP0 0.9067
350 35C 0.9066
351 3SK 0.9065
352 1DW 0.9062
353 23W 0.9062
354 RP7 0.9059
355 NCA 0.9058
356 7MH 0.9057
357 5AN 0.9055
358 273 0.9055
359 ERH 0.9053
360 BAM 0.9052
361 1CB 0.9052
362 VNJ 0.9052
363 9CL 0.9050
364 ES6 0.9050
365 FUF 0.9050
366 AZF 0.9050
367 JKE 0.9047
368 ATQ 0.9040
369 IFM 0.9040
370 5MB 0.9036
371 1XN 0.9033
372 HOW 0.9030
373 ABA 0.9030
374 THR 0.9030
375 ES9 0.9029
376 F5B 0.9029
377 DTL 0.9021
378 1AB 0.9020
379 2MZ 0.9017
380 GOO 0.9015
381 2AI 0.9014
382 1MZ 0.9011
383 OXZ 0.9010
384 B24 0.9009
385 5H1 0.9007
386 FPK 0.9006
387 ALQ 0.9006
388 CIZ 0.9005
389 MR3 0.9004
390 F81 0.9001
391 RAM 0.9000
392 HUI 0.8994
393 ADZ 0.8993
394 12M 0.8993
395 2CK 0.8990
396 4MZ 0.8988
397 60P 0.8988
398 MZY 0.8987
399 SMV 0.8986
400 NVI 0.8984
401 IT2 0.8983
402 AMC 0.8980
403 EXO 0.8979
404 TH7 0.8976
405 4XR 0.8976
406 F60 0.8975
407 7WV 0.8971
408 TBP 0.8970
409 11S 0.8969
410 TAR 0.8968
411 5KX 0.8967
412 5MI 0.8966
413 FK1 0.8962
414 14O 0.8962
415 PAF 0.8961
416 2K4 0.8959
417 LER 0.8958
418 NIO 0.8956
419 H4N 0.8955
420 DCY 0.8954
421 9DG 0.8952
422 1DU 0.8952
423 ASP 0.8950
424 XAN 0.8942
425 JZ6 0.8941
426 LMR 0.8940
427 6AP 0.8939
428 A2F 0.8938
429 03W 0.8938
430 DPR 0.8938
431 GUN 0.8937
432 5MP 0.8937
433 R2B 0.8936
434 ADK 0.8935
435 HQY 0.8935
436 GLC 0.8929
437 DCD 0.8929
438 5Q0 0.8923
439 FLA 0.8921
440 3ZS 0.8921
441 EDG 0.8921
442 MRY 0.8920
443 290 0.8920
444 CRN 0.8918
445 IGA 0.8918
446 8NY 0.8917
447 PZA 0.8916
448 EQT 0.8916
449 C21 0.8914
450 O72 0.8913
451 VGL 0.8912
452 Z6J 0.8910
453 1NP 0.8909
454 7B4 0.8909
455 AZA 0.8907
456 2XX 0.8907
457 BVC 0.8906
458 PRS 0.8904
459 G3F 0.8903
460 ES1 0.8903
461 6F0 0.8901
462 KYD 0.8900
463 1SQ 0.8900
464 O7U 0.8900
465 3MA 0.8900
466 5IQ 0.8898
467 82I 0.8897
468 CFP 0.8897
469 JPZ 0.8896
470 5SG 0.8896
471 TFB 0.8895
472 261 0.8895
473 6GU 0.8895
474 1LQ 0.8895
475 C2A 0.8894
476 1LM 0.8892
477 TCZ 0.8891
478 YH7 0.8891
479 N5J 0.8890
480 4YS 0.8890
481 BVG 0.8888
482 M1A 0.8886
483 QSC 0.8886
484 TF4 0.8882
485 GRE 0.8880
486 AZG 0.8879
487 BOA 0.8879
488 7HQ 0.8879
489 270 0.8879
490 24W 0.8879
491 1XM 0.8877
492 JBH 0.8876
493 AKB 0.8876
494 FP1 0.8876
495 192 0.8875
496 7W4 0.8875
497 ES3 0.8875
498 HBA 0.8872
499 KPL 0.8870
500 P3K 0.8870
501 NTN 0.8869
502 DX4 0.8869
503 FCB 0.8868
504 SS1 0.8866
505 4PW 0.8862
506 FUB 0.8861
507 BYZ 0.8860
508 M58 0.8857
509 JAE 0.8856
510 MZW 0.8856
511 ITN 0.8853
512 H76 0.8850
513 KKN 0.8847
514 AX7 0.8846
515 UNU 0.8845
516 ISN 0.8837
517 RM4 0.8836
518 B53 0.8834
519 P2D 0.8833
520 MFB 0.8831
521 BAL 0.8831
522 2ZV 0.8830
523 141 0.8829
524 1LN 0.8829
525 HH5 0.8827
526 MSN 0.8826
527 RNS 0.8825
528 HH8 0.8823
529 6M1 0.8822
530 NOJ 0.8821
531 GIO 0.8821
532 3DO 0.8821
533 BAE 0.8820
534 I3A 0.8820
535 4XH 0.8818
536 3RK 0.8818
537 BGC 0.8818
538 P92 0.8815
539 BCP 0.8810
540 BHO 0.8804
541 KOJ 0.8803
542 OHG 0.8801
543 PBC 0.8799
544 JZ4 0.8797
545 6SP 0.8797
546 2LP 0.8794
547 0CU 0.8787
548 HBS 0.8787
549 XQG 0.8783
550 3OH 0.8782
551 2MI 0.8779
552 ES7 0.8778
553 5NU 0.8778
554 67N 0.8776
555 TLA 0.8775
556 XM0 0.8773
557 8GC 0.8773
558 URQ 0.8772
559 G2F 0.8770
560 BSX 0.8769
561 9X7 0.8768
562 ABV 0.8767
563 HVQ 0.8763
564 5RG 0.8763
565 JBK 0.8760
566 PYZ 0.8759
567 ASN 0.8757
568 AAE 0.8757
569 OAA 0.8755
570 HIO 0.8754
571 FBA 0.8754
572 5WV 0.8753
573 PCA 0.8752
574 LCN 0.8751
575 NOY 0.8750
576 PRY 0.8750
577 IFL 0.8750
578 ASO 0.8750
579 2A7 0.8747
580 TAY 0.8742
581 S76 0.8740
582 PAV 0.8740
583 4VP 0.8740
584 3M0 0.8735
585 6CS 0.8733
586 XQ0 0.8732
587 Q88 0.8731
588 CWM 0.8730
589 DBH 0.8727
590 AC0 0.8726
591 54G 0.8726
592 HX3 0.8723
593 IQ0 0.8721
594 URP 0.8720
595 PHB 0.8719
596 INS 0.8718
597 HSE 0.8715
598 GTQ 0.8714
599 5M0 0.8713
600 ES0 0.8713
601 5B1 0.8712
602 3F0 0.8712
603 AGK 0.8710
604 3HA 0.8709
605 1P7 0.8709
606 4JL 0.8708
607 AUD 0.8706
608 SX1 0.8704
609 GIF 0.8704
610 RM1 0.8704
611 51F 0.8702
612 32O 0.8701
613 MAE 0.8697
614 LDU 0.8696
615 RUU 0.8696
616 CP 0.8696
617 5CU 0.8693
618 42A 0.8690
619 5MK 0.8690
620 H8N 0.8690
621 M1E 0.8686
622 PBE 0.8681
623 NCM 0.8680
624 9TZ 0.8680
625 MAN 0.8680
626 HHA 0.8677
627 R8S 0.8675
628 LZM 0.8675
629 4JM 0.8673
630 GYE 0.8658
631 6KX 0.8656
632 MNM 0.8656
633 BP9 0.8655
634 14J 0.8650
635 BDR 0.8647
636 3NT 0.8646
637 DMD 0.8645
638 PRI 0.8642
639 2EZ 0.8641
640 DMJ 0.8640
641 MRZ 0.8639
642 4M0 0.8636
643 ZZ3 0.8634
644 HFB 0.8632
645 9MG 0.8630
646 FA0 0.8627
647 1DQ 0.8626
648 DOB 0.8621
649 5HN 0.8616
650 C2B 0.8613
651 DTU 0.8613
652 IPB 0.8608
653 3DM 0.8608
654 3ID 0.8605
655 SS2 0.8603
656 T2C 0.8602
657 ARW 0.8600
658 3AB 0.8596
659 3WA 0.8595
660 GAB 0.8586
661 3HB 0.8583
662 39A 0.8579
663 G5V 0.8574
664 03V 0.8571
665 5WX 0.8567
666 FDB 0.8561
667 LRH 0.8560
668 WCE 0.8555
669 TZE 0.8554
670 JBQ 0.8543
671 COU 0.8537
672 BCF 0.8533
673 MMU 0.8523
674 BBF 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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