Receptor
PDB id Resolution Class Description Source Keywords
2RB2 1.46 Å EC: 3.2.1.17 3-METHYLBENZYLAZIDE IN COMPLEX WITH T4 LYSOZYME L99A ENTEROBACTERIA PHAGE T4 PROTEIN CAVITIES HYDROLASE
Ref.: RESCORING DOCKING HIT LISTS FOR MODEL CAVITY SITES: PREDICTIONS AND EXPERIMENTAL TESTING. J.MOL.BIOL. V. 377 914 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
263 X:1001;
Valid;
none;
submit data
147.177 C8 H9 N3 Cc1cc...
PO4 X:2001;
X:2002;
X:2003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
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: 263; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 263 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 263; Similar ligands found: 630
No: Ligand Similarity coefficient
1 JFJ 0.9737
2 BNF 0.9731
3 N4B 0.9629
4 LDP 0.9529
5 3HP 0.9524
6 LSQ 0.9516
7 P80 0.9515
8 EOL 0.9504
9 DHY 0.9503
10 J9T 0.9497
11 069 0.9496
12 268 0.9484
13 PRA 0.9481
14 OHJ 0.9469
15 B2J 0.9464
16 42J 0.9438
17 264 0.9434
18 FEH 0.9431
19 AX3 0.9429
20 NYL 0.9421
21 ZZ2 0.9414
22 MXN 0.9413
23 PEA 0.9403
24 EV0 0.9402
25 AEH 0.9399
26 PBN 0.9398
27 3QM 0.9394
28 LT1 0.9385
29 SAF 0.9384
30 HY1 0.9383
31 HCI 0.9377
32 2LP 0.9377
33 H7Y 0.9373
34 3C4 0.9371
35 45L 0.9367
36 AS3 0.9363
37 DI6 0.9359
38 7MU 0.9355
39 PEL 0.9355
40 OMD 0.9351
41 FK8 0.9345
42 DHC 0.9340
43 NFM 0.9332
44 1DJ 0.9332
45 2AL 0.9332
46 MNN 0.9321
47 XQI 0.9312
48 LNR 0.9312
49 NIZ 0.9312
50 I4B 0.9299
51 PAC 0.9285
52 HQ9 0.9283
53 PBA 0.9282
54 A29 0.9276
55 CEE 0.9275
56 KTA 0.9275
57 LYL 0.9273
58 TZM 0.9272
59 R20 0.9270
60 1LN 0.9268
61 ORO 0.9264
62 SMN 0.9261
63 ALE 0.9261
64 258 0.9259
65 HC4 0.9257
66 4FA 0.9257
67 K7M 0.9256
68 LYS 0.9253
69 BHO 0.9250
70 AKG 0.9249
71 QY9 0.9248
72 YTX 0.9248
73 GLO 0.9247
74 J0Z 0.9245
75 ISZ 0.9245
76 ORN 0.9241
77 HPT 0.9240
78 PO6 0.9239
79 TAG 0.9236
80 271 0.9233
81 4NC 0.9233
82 269 0.9232
83 MNP 0.9232
84 173 0.9231
85 CFI 0.9227
86 DOR 0.9225
87 1P3 0.9221
88 XIZ 0.9219
89 ASC 0.9218
90 PHE 0.9216
91 FBM 0.9216
92 3H2 0.9215
93 33S 0.9211
94 B40 0.9208
95 OGA 0.9207
96 PZI 0.9204
97 TL6 0.9201
98 8OZ 0.9199
99 TSS 0.9197
100 9RW 0.9186
101 MUC 0.9185
102 HQJ 0.9183
103 XDE 0.9182
104 HL4 0.9182
105 TYL 0.9180
106 I3E 0.9180
107 TYR 0.9176
108 SYG 0.9176
109 S8V 0.9175
110 OHP 0.9174
111 0LH 0.9171
112 NMJ 0.9165
113 QBM 0.9164
114 6Q3 0.9162
115 BPW 0.9154
116 TPA 0.9154
117 RJY 0.9149
118 3AB 0.9149
119 EDR 0.9147
120 SQV 0.9146
121 VXX 0.9143
122 SDD 0.9141
123 TSR 0.9140
124 QUS 0.9139
125 IAC 0.9135
126 GJZ 0.9133
127 6FZ 0.9132
128 8ZE 0.9132
129 NVU 0.9131
130 FP1 0.9129
131 DAH 0.9127
132 P7Y 0.9126
133 HF2 0.9125
134 4CS 0.9123
135 BHH 0.9122
136 PRZ 0.9118
137 261 0.9117
138 4HP 0.9117
139 DLY 0.9117
140 CXF 0.9116
141 3HB 0.9114
142 7C3 0.9112
143 GLU 0.9111
144 DPN 0.9109
145 SSB 0.9108
146 3OL 0.9106
147 FAN 0.9102
148 RBJ 0.9102
149 HFA 0.9101
150 BSX 0.9101
151 S24 0.9100
152 I1E 0.9100
153 YPN 0.9098
154 PHU 0.9098
155 B3U 0.9097
156 CXP 0.9097
157 TZE 0.9095
158 AEF 0.9094
159 PMF 0.9092
160 9R5 0.9091
161 PRY 0.9086
162 GAB 0.9085
163 3OC 0.9084
164 ONH 0.9084
165 53C 0.9082
166 QH3 0.9080
167 1L5 0.9080
168 C9E 0.9079
169 O45 0.9075
170 OVV 0.9075
171 GRO 0.9074
172 NLE 0.9073
173 JZ4 0.9072
174 MED 0.9072
175 GZL 0.9070
176 61M 0.9069
177 KDG 0.9069
178 RCV 0.9068
179 URS 0.9066
180 RMN 0.9065
181 YRL 0.9064
182 ICB 0.9063
183 HIC 0.9062
184 8XL 0.9060
185 XEN 0.9059
186 B09 0.9059
187 14W 0.9057
188 TYE 0.9055
189 KMT 0.9052
190 PJL 0.9050
191 3BZ 0.9049
192 PH3 0.9049
193 D1X 0.9048
194 23J 0.9047
195 KOJ 0.9046
196 51R 0.9045
197 INO 0.9044
198 APG 0.9043
199 PPY 0.9042
200 A09 0.9042
201 MJ2 0.9039
202 8WO 0.9036
203 2HC 0.9035
204 JZ7 0.9035
205 AEG 0.9034
206 F06 0.9034
207 0F9 0.9028
208 FA1 0.9027
209 LVD 0.9026
210 XX2 0.9026
211 3AL 0.9023
212 RNT 0.9022
213 DHK 0.9022
214 3OM 0.9021
215 OTR 0.9021
216 9KH 0.9021
217 DHB 0.9020
218 IOP 0.9020
219 T9G 0.9019
220 BE2 0.9017
221 3NT 0.9015
222 1QP 0.9013
223 9BF 0.9012
224 R2P 0.9011
225 SHA 0.9011
226 MYJ 0.9011
227 H4E 0.9010
228 N9J 0.9008
229 DE5 0.9008
230 1BN 0.9007
231 Q9Z 0.9004
232 2HG 0.9004
233 92K 0.9002
234 EGR 0.9001
235 YOF 0.9000
236 NFA 0.8997
237 MR1 0.8996
238 6TZ 0.8994
239 HSO 0.8993
240 FUD 0.8992
241 SOR 0.8991
242 HHA 0.8988
243 SOL 0.8988
244 K6V 0.8986
245 E35 0.8985
246 7WG 0.8982
247 HJH 0.8979
248 4SX 0.8978
249 IYR 0.8977
250 HIS 0.8977
251 1A7 0.8977
252 PCA 0.8976
253 NCA 0.8975
254 K5W 0.8975
255 PSJ 0.8973
256 SBK 0.8973
257 RNS 0.8973
258 ABF 0.8972
259 AHR 0.8966
260 PMB 0.8963
261 GLN 0.8963
262 2EC 0.8963
263 4XV 0.8963
264 7Q1 0.8963
265 DGN 0.8961
266 HPP 0.8960
267 M6H 0.8959
268 AHC 0.8959
269 DIR 0.8958
270 BCU 0.8958
271 8U3 0.8958
272 5HY 0.8957
273 8GC 0.8956
274 GOJ 0.8955
275 6ME 0.8954
276 3SK 0.8954
277 MET 0.8953
278 2KU 0.8952
279 B85 0.8950
280 NIO 0.8950
281 S0W 0.8949
282 54D 0.8949
283 6M4 0.8948
284 X0V 0.8948
285 9TZ 0.8947
286 1F1 0.8947
287 3EB 0.8947
288 BAM 0.8945
289 SR1 0.8944
290 3U4 0.8944
291 KMH 0.8940
292 A13 0.8938
293 I2E 0.8937
294 S2G 0.8936
295 B41 0.8935
296 P9P 0.8934
297 5WZ 0.8934
298 CFA 0.8933
299 3HA 0.8933
300 DGL 0.8932
301 SAL 0.8932
302 SYC 0.8930
303 717 0.8930
304 HPS 0.8927
305 C2A 0.8927
306 HHH 0.8926
307 M58 0.8924
308 F52 0.8923
309 4HM 0.8922
310 4XS 0.8922
311 TLA 0.8920
312 URO 0.8917
313 CUW 0.8915
314 MO8 0.8913
315 F31 0.8912
316 P58 0.8910
317 PPT 0.8908
318 6LW 0.8908
319 4VY 0.8907
320 2F6 0.8907
321 HDH 0.8906
322 BEN 0.8905
323 RAT 0.8901
324 FBJ 0.8900
325 AMH 0.8899
326 NCT 0.8898
327 GLY ALA 0.8897
328 XCZ 0.8895
329 7N0 0.8893
330 ZZ3 0.8892
331 PKU 0.8889
332 5NI 0.8889
333 WCE 0.8888
334 XUL 0.8887
335 BNS 0.8885
336 2PG 0.8882
337 HA5 0.8882
338 4PN 0.8882
339 2LT 0.8881
340 Q02 0.8880
341 M3H 0.8879
342 4RW 0.8878
343 LPK 0.8877
344 51F 0.8876
345 49F 0.8875
346 IOS 0.8874
347 QMP 0.8874
348 6HO 0.8873
349 MTL 0.8871
350 S8D 0.8871
351 TRP 0.8870
352 KP6 0.8870
353 DEW 0.8868
354 DBX 0.8868
355 VGL 0.8867
356 3DO 0.8866
357 DHR 0.8866
358 GTQ 0.8863
359 GCO 0.8862
360 DE3 0.8861
361 HSM 0.8861
362 2FY 0.8860
363 11C 0.8859
364 EMZ 0.8857
365 6CS 0.8856
366 M5E 0.8855
367 3GZ 0.8854
368 3F0 0.8854
369 RSO 0.8853
370 ARG 0.8853
371 S2P 0.8852
372 OOG 0.8851
373 BEZ 0.8851
374 7OD 0.8850
375 HA7 0.8849
376 AHN 0.8848
377 RB5 0.8846
378 XYL 0.8846
379 AAN 0.8845
380 MES 0.8844
381 FBV 0.8844
382 FBU 0.8844
383 FB2 0.8843
384 NTN 0.8843
385 FA3 0.8843
386 SHI 0.8843
387 HL5 0.8842
388 15N 0.8842
389 DEE 0.8842
390 3LR 0.8841
391 FBW 0.8838
392 ZZZ 0.8838
393 3YP 0.8837
394 6PC 0.8836
395 OVM 0.8835
396 4TB 0.8835
397 DBH 0.8834
398 2CL 0.8833
399 7MX 0.8833
400 F90 0.8832
401 2EH 0.8832
402 2IT 0.8830
403 0JD 0.8828
404 SS2 0.8819
405 CTS 0.8818
406 4A5 0.8817
407 3HG 0.8815
408 HSX 0.8813
409 AC6 0.8811
410 GLY GLY 0.8811
411 A3M 0.8809
412 DYT 0.8809
413 2A9 0.8808
414 15E 0.8807
415 7BC 0.8807
416 9YT 0.8806
417 JPQ 0.8806
418 N6C 0.8804
419 EN1 0.8801
420 SYM 0.8801
421 XM0 0.8801
422 GGL 0.8800
423 JF6 0.8799
424 UN1 0.8799
425 TEO 0.8799
426 TT4 0.8798
427 SPA 0.8796
428 DTY 0.8795
429 6L6 0.8794
430 1X4 0.8793
431 4BF 0.8793
432 44V 0.8792
433 PFF 0.8789
434 GGB 0.8786
435 CIT 0.8785
436 N2Z 0.8785
437 GXY 0.8784
438 FWD 0.8784
439 ENO 0.8783
440 R9S 0.8783
441 BRH 0.8782
442 I38 0.8782
443 EKZ 0.8782
444 COI 0.8781
445 ARP 0.8781
446 AL0 0.8779
447 2BX 0.8779
448 TZL 0.8779
449 PBC 0.8779
450 DFB 0.8775
451 ASO 0.8774
452 3PG 0.8774
453 ZBT 0.8773
454 PSV 0.8773
455 JLZ 0.8773
456 QDK 0.8772
457 3IL 0.8772
458 GIF 0.8772
459 LCN 0.8772
460 OAA 0.8771
461 DIG 0.8770
462 AOS 0.8768
463 M1Q 0.8767
464 8SZ 0.8766
465 GWM 0.8765
466 MLT 0.8765
467 5XA 0.8764
468 MS9 0.8762
469 AG2 0.8762
470 KBB 0.8761
471 MP5 0.8761
472 APS 0.8760
473 IT2 0.8760
474 2CO 0.8760
475 NOJ 0.8759
476 GO8 0.8759
477 OW4 0.8759
478 293 0.8757
479 5XB 0.8757
480 9J3 0.8757
481 TYC 0.8755
482 SEP 0.8752
483 NGT 0.8752
484 ONL 0.8751
485 HIO 0.8751
486 RBL 0.8750
487 SSC 0.8750
488 TIU 0.8750
489 XYH 0.8748
490 DAL DAL 0.8747
491 2C2 0.8747
492 NTU 0.8747
493 6DP 0.8746
494 DQA 0.8746
495 XBT 0.8743
496 SS1 0.8743
497 K6H 0.8743
498 M74 0.8741
499 CWD 0.8739
500 YCP 0.8738
501 3SL 0.8737
502 B3M 0.8736
503 RUY 0.8736
504 1PS 0.8736
505 GBN 0.8735
506 RP3 0.8735
507 3M0 0.8734
508 4OG 0.8734
509 ISD 0.8734
510 RP5 0.8733
511 HGA 0.8730
512 2XX 0.8730
513 IZC 0.8728
514 9F8 0.8728
515 XLS 0.8725
516 2K8 0.8722
517 DIE 0.8722
518 NF3 0.8722
519 3CR 0.8720
520 6HP 0.8720
521 PHB 0.8719
522 G3H 0.8719
523 1SS 0.8719
524 GNW 0.8718
525 4NG 0.8718
526 MLZ 0.8717
527 S7S 0.8717
528 JF1 0.8712
529 DTR 0.8712
530 R9M 0.8708
531 P84 0.8708
532 VNJ 0.8707
533 AC0 0.8707
534 56D 0.8705
535 LTN 0.8705
536 SKM 0.8705
537 SN4 0.8705
538 ACA 0.8704
539 TAR 0.8704
540 ROR 0.8703
541 PHI 0.8703
542 G2F 0.8702
543 AGK 0.8701
544 LYN 0.8701
545 DA4 0.8698
546 GLC 0.8697
547 NWH 0.8696
548 STT 0.8695
549 ZON 0.8694
550 SYN 0.8694
551 DGJ 0.8692
552 VKC 0.8692
553 ASP 0.8690
554 SHV 0.8689
555 3PF 0.8689
556 ODO 0.8687
557 MSE 0.8686
558 MRZ 0.8685
559 PLR 0.8681
560 R9G 0.8680
561 TIH 0.8678
562 4JT 0.8676
563 Q03 0.8676
564 3BU 0.8675
565 QSC 0.8675
566 HNK 0.8671
567 RIB 0.8669
568 HNL 0.8667
569 JRB 0.8665
570 9CL 0.8663
571 ZXD 0.8661
572 CS2 0.8660
573 ISA 0.8659
574 AMQ 0.8657
575 H42 0.8656
576 HHT 0.8656
577 NPO 0.8653
578 EYK 0.8650
579 13P 0.8650
580 ITW 0.8649
581 TZP 0.8648
582 5QY 0.8648
583 GLL 0.8648
584 DHI 0.8648
585 2UB 0.8648
586 EXR 0.8646
587 DDW 0.8639
588 PYJ 0.8636
589 3DM 0.8636
590 SLZ 0.8636
591 NHG 0.8636
592 ABN 0.8634
593 NDH 0.8628
594 MEQ 0.8627
595 M3P 0.8626
596 9RH 0.8625
597 IXW 0.8622
598 1H1 0.8622
599 3IB 0.8621
600 SVD 0.8621
601 NLG 0.8621
602 BRT 0.8620
603 SER PRO 0.8617
604 MHO 0.8616
605 M6W 0.8612
606 0A9 0.8609
607 6J5 0.8608
608 CLU 0.8607
609 LTT 0.8603
610 4BX 0.8601
611 HHI 0.8600
612 4Z9 0.8597
613 G3P 0.8593
614 7MK 0.8590
615 1DV 0.8589
616 X1P 0.8589
617 IWD 0.8586
618 5HN 0.8584
619 PBZ 0.8582
620 S76 0.8579
621 NIY 0.8578
622 FE DB1 0.8578
623 FHC 0.8577
624 CTV 0.8572
625 SW7 0.8569
626 MPP 0.8556
627 6N4 0.8556
628 ZIP 0.8549
629 DDK 0.8533
630 AE3 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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