- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
-
|
- Download
- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 3TTI | ic50 = 0.006 uM | KBI | C21 H23 F3 N6 O2 | c1c(cc(c(c.... |
2 | 3TTJ | ic50 = 0.21 uM | JBI | C23 H23 F N6 O | COc1ccc(cc.... |
3 | 1JNK | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
4 | 4H3B | Kd = 17.2 uM | VAL VAL ARG PRO GLY SER LEU ASP LEU PRO | n/a | n/a |
5 | 3KVX | ic50 = 0.148 uM | FMY | C26 H27 F N8 O2 | c1cc(ccc1/.... |
6 | 4H39 | Kd = 0.8 uM | PRO LYS ARG PRO THR THR LEU ASN LEU PHE | n/a | n/a |
7 | 4AWI | ic50 = 1 uM | AQ2 | C21 H25 N3 O4 S2 | CC(C)c1cc2.... |
8 | 2O0U | ic50 = 3.2 uM | C0M | C27 H28 N4 O2 S | c1ccc2c(c1.... |
9 | 2P33 | ic50 = 57 nM | J07 | C20 H23 Cl N6 O | CCNC(=O)N1.... |
10 | 2ZDU | - | 446 | C28 H23 Br N2 O6 | COC(=O)C1=.... |
11 | 2B1P | ic50 = 3 nM | AIZ | C26 H26 Cl N5 O3 | CN(C)CCCC(.... |
12 | 2OK1 | Ki = 0.55 uM | 33A | C21 H17 Cl N4 O | c1ccc(cc1).... |
13 | 3OXI | ic50 = 2.2 uM | SYY | C12 H11 N O3 S2 | COC(=O)c1c.... |
14 | 3OY1 | ic50 = 0.016 uM | 589 | C28 H31 N5 O2 | c1ccc2cc(c.... |
15 | 6EMH | ic50 = 833 nM | BGE | C19 H21 N5 O | Cc1c([nH]c.... |
16 | 2ZDT | - | 46C | C26 H20 Cl N O4 | CCC(=O)C1=.... |
17 | 3ELJ | - | GS7 | C22 H21 F N6 O4 S | COc1cc(ccc.... |
18 | 3FI2 | ic50 = 0.025 uM | JK1 | C26 H25 N5 O5 | COc1cc(cc(.... |
19 | 4L7F | ic50 = 160 nM | 1V5 | C26 H26 F N5 O2 | c1cc(ccc1C.... |
20 | 6EQ9 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
21 | 2WAJ | ic50 = 0.398 uM | SNB | C16 H13 Br Cl N O | COc1cc2c(c.... |
22 | 4QTD | ic50 = 1080 nM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
23 | 6EKD | ic50 = 184 nM | B9K | C20 H23 N5 O S | Cc1c([nH]c.... |
24 | 3G9L | Ki = 0.74 uM | J67 | C25 H19 F N2 O4 | c1ccc(cc1).... |
25 | 4Y46 | ic50 = 11 nM | 4F2 | C22 H32 N6 O2 | CC(C)NC(=O.... |
26 | 1PMN | ic50 = 7.1 nM | 984 | C25 H30 Cl2 N6 | CCCn1c(c(n.... |
27 | 3FI3 | ic50 = 12 nM | JK2 | C29 H25 F N4 O4 | COc1cc(cc(.... |
28 | 2O2U | ic50 = 4 uM | 738 | C16 H13 F N2 O S | c1ccc(c(c1.... |
29 | 4W4V | ic50 = 866 nM | 3H8 | C23 H19 Cl N6 O2 | Cc1cc(ccn1.... |
30 | 3DA6 | - | BZ9 | C28 H23 N7 O | Cc1cc(c2cc.... |
31 | 2R9S | ic50 = 0.15 uM | 255 | C24 H24 N4 O2 S | CC(C)(C)NS.... |
32 | 4Y5H | ic50 = 15 nM | 519 | C20 H30 N6 O2 | CC(C)NC(=O.... |
33 | 4X21 | Kd = 36 nM | 3WH | C20 H23 I N6 O | CCNC(=O)N1.... |
34 | 3RTP | ic50 = 7 nM | 34I | C18 H14 N6 O2 S | c1ccc2c(c1.... |
35 | 3PZE | - | CFK | C12 H11 N3 O2 S | c1ccc(cc1).... |
36 | 4Z9L | ic50 = 1.6 nM | 880 | C27 H34 Cl2 N6 | CCCn1c(c(n.... |
37 | 4WHZ | ic50 < 1 nM | 3NL | C24 H23 Cl N8 O2 | c1ccc(c(c1.... |
38 | 4W4Y | ic50 = 3034 nM | 3HQ | C24 H22 N6 O2 | Cc1ccc(cc1.... |
39 | 4W4W | ic50 = 6630 nM | 3HJ | C23 H20 N6 O2 | Cc1cc(ccn1.... |
40 | 3G90 | Ki = 0.44 uM | J72 | C17 H12 F2 N2 O4 | c1cc2c(cc1.... |
41 | 1PMV | ic50 = 150 nM | 537 | C14 H8 N2 O | c1ccc2c(c1.... |
42 | 5AWM | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
43 | 3NPC | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
44 | 3E7O | ic50 = 120 nM | 35F | C20 H14 N6 O2 | c1cc(cc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 63 families. | |||||
1 | 4FBX | - | 0TJ GLY ASP ASP ASP ASP ASP | n/a | n/a |
2 | 5OUU | - | AWN | C22 H20 Cl N3 | c1ccc(cc1).... |
3 | 4RLL | - | E91 | C21 H14 N2 O2 | c1ccc2c(c1.... |
4 | 5CU4 | Kd = 0.32 uM | 54S | C26 H26 Cl N3 O4 | c1ccc(cc1).... |
5 | 4O6E | ic50 = 1 nM | 2SH | C21 H25 Cl F N5 O3 | c1cc(c(cc1.... |
6 | 5NHJ | ic50 < 0.0003 uM | 8XE | C18 H21 N7 O2 | Cn1c(ccn1).... |
7 | 4QYY | Kd = 0.05 uM | 3G7 | C25 H29 Cl N4 O4 | CC(=O)c1cc.... |
8 | 6QAG | - | HUH | C2 H3 N3 | c1cnn[nH]1 |
9 | 4I5H | Ki < 2 nM | G17 | C26 H21 F3 N4 O | Cc1ccc(cc1.... |
10 | 6G93 | ic50 = 11 nM | EU2 | C17 H17 Cl N4 O2 | c1cc2c(cc1.... |
11 | 4QTE | Kd = 0.084 uM | 390 | C24 H20 Cl2 F N5 O2 | Cc1cnc(nc1.... |
12 | 4XNE | - | TT4 | C8 H9 N5 | c1ccc(cc1).... |
13 | 3QYW | - | 6PB | C11 H8 Br N5 | c1cc(cc(c1.... |
14 | 5BUE | ic50 = 0.003 uM | 4V8 | C23 H21 N5 O | c1ccc(cc1).... |
15 | 6GE0 | ic50 = 2.1 nM | EVQ | C28 H30 Cl N5 O4 | C[C@H](c1c.... |
16 | 6G9N | ic50 = 3 nM | ESN | C29 H32 Cl N5 O4 | Cc1cccc(c1.... |
17 | 2Z7L | - | S91 | C20 H19 N5 O3 | Cc1cccc(c1.... |
18 | 6QAW | - | HVE | C12 H18 N5 | c1c[nH]c2c.... |
19 | 4ZXT | - | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
20 | 1WZY | ic50 = 0.56 uM | F29 | C21 H17 N7 | C=CCn1c2c(.... |
21 | 6DMG | - | EK6 | C27 H26 Cl2 F N5 O4 | CCOC(=O)CN.... |
22 | 5NHH | ic50 < 0.00113 uM | 8XH | C19 H25 N5 O3 | COCCN1CCc2.... |
23 | 6OPH | - | 6QB | C21 H18 Cl F N6 O2 | Cn1c(ccn1).... |
24 | 6G9H | ic50 = 4 nM | ERW | C24 H30 Cl N5 O3 | CC(C)(C)N(.... |
25 | 4N4S | - | 2H1 | C25 H24 N6 O | Cc1cc(cc2c.... |
26 | 4QP8 | ic50 = 0.28 uM | 362 | C14 H10 N6 | c1cc(cnc1).... |
27 | 6SLG | Kd = 0.00000145 M | LHZ | C24 H24 F2 N8 O2 | Cc1cnc(nc1.... |
28 | 4QP4 | - | 36O | C11 H15 N5 | c1[nH]c2c(.... |
29 | 6G9D | ic50 = 4.3 nM | ER8 | C23 H28 Cl N5 O3 | CC(C)(C)NC.... |
30 | 6GJB | ic50 = 0.008 uM | F0H | C35 H34 Cl F N6 O4 | c1cc(c(cc1.... |
31 | 6G91 | ic50 = 3200 nM | EQW | C9 H12 Cl N3 O | c1c(cnc(n1.... |
32 | 6G8X | - | EQT | C7 H6 Cl N3 | c1cc2c(c(c.... |
33 | 6DCG | ic50 = 7 nM | G67 | C37 H41 N9 O3 S | CC(C)Oc1cc.... |
34 | 4QP9 | ic50 = 0.071 uM | 35X | C17 H16 N6 | CCCn1cc(cn.... |
35 | 5BVE | ic50 = 0.01 nM | 4VG | C25 H28 Cl N5 O3 | c1cc(cc(c1.... |
36 | 6Q7S | - | IPH | C6 H6 O | c1ccc(cc1).... |
37 | 5KE0 | - | 6S9 | C20 H18 N6 O | Cc1cc(ccn1.... |
38 | 6CPW | ic50 = 5.6 nM | F8V | C35 H35 F N8 O2 S | CS[C@]1(CC.... |
39 | 4XOY | - | DX4 | C5 H5 N5 S | c1[nH]c2c(.... |
40 | 6G9K | - | ESK | C27 H28 Cl N5 O4 | c1ccc(cc1).... |
41 | 3QYZ | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
42 | 5BVF | ic50 = 0.19 nM | 4VJ | C25 H28 Cl N5 O3 | c1cc(cc(c1.... |
43 | 6G9M | ic50 = 7.9 nM | ESW | C28 H30 Cl N5 O3 | CC(C)(c1cc.... |
44 | 6QAH | - | HVB | C3 H9 N2 | CCC(=[NH2+.... |
45 | 6QA3 | - | PZO | C3 H4 N2 | c1c[nH]nc1 |
46 | 4XOZ | - | 620 | C15 H16 N6 O | c1ccc(cc1).... |
47 | 5HD7 | - | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
48 | 4XRJ | - | 620 | C15 H16 N6 O | c1ccc(cc1).... |
49 | 2OJJ | Ki = 0.002 uM | 82A | C22 H17 Cl2 F N4 O2 | c1cc(cc(c1.... |
50 | 6Q7K | - | 2AI | C3 H5 N3 | c1cnc([nH].... |
51 | 4QTA | Kd = 0.013 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
52 | 6RQ4 | - | KE8 | C22 H27 N7 O2 S | CC1(c2c(cc.... |
53 | 5NHO | ic50 < 0.0003 uM | 8XN | C20 H25 N7 O2 | Cc1cnc(nc1.... |
54 | 2OJG | Ki = 2.3 uM | 19A | C16 H16 N4 O | CN(C)C(=O).... |
55 | 4XP0 | - | 42A | C8 H5 N3 | c1cc2c(c[n.... |
56 | 4QP2 | Kd = 940 uM | 36R | C7 H5 Cl N2 O | c1cc2c(cc1.... |
57 | 5NHF | ic50 = 0.0012 uM | 8X5 | C23 H25 N5 O2 | c1ccc(cc1).... |
58 | 5BUJ | ic50 = 0.005 uM | 4VB | C16 H15 N5 O | c1cnccc1c2.... |
59 | 6G9J | ic50 = 4.1 nM | ERK | C27 H28 Cl N5 O3 | C[C@H](c1c.... |
60 | 5BUI | ic50 = 0.089 uM | 4V9 | C17 H15 F N4 | c1ccnc(c1).... |
61 | 4QP7 | ic50 = 5.9 uM | 363 | C9 H7 N5 | c1c[nH]c2c.... |
62 | 3ERK | ic50 = 18 uM | SB4 | C18 H19 F N6 | c1cc(ccc1c.... |
63 | 6GDQ | - | EVK | C21 H22 Cl2 N4 O2 | CC(C)Nc1cc.... |
64 | 5V60 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
65 | 6QA1 | - | HVK | C5 H6 N2 | c1ccnc(c1).... |
66 | 1TVO | Ki = 0.14 uM | FRZ | C18 H13 N7 | c1ccc(cc1).... |
67 | 6G9A | ic50 = 21 nM | ESQ | C23 H28 Cl N5 O3 | c1cc2c(cc1.... |
68 | 5BVD | ic50 = 0.16 nM | 4VF | C24 H26 Cl N5 O3 | c1cc(cc(c1.... |
69 | 4ZZN | ic50 = 0.26 uM | CQ8 | C18 H21 Cl N4 O2 | CNC(=O)c1c.... |
70 | 3SA0 | - | NRA | C13 H8 O6 | c1c(cc2c(c.... |
71 | 4ERK | ic50 = 27 uM | OLO | C15 H18 N6 O | Cn1cnc2c1n.... |
72 | 6GJD | ic50 = 0.022 uM | F0E | C46 H55 N11 O5 | c1cnc(nc1).... |
73 | 5U6I | - | 81Y | C19 H22 N4 O2 | CC(C)Oc1cc.... |
74 | 5NHV | ic50 = 0.0028 uM | 8QB | C16 H19 N5 O2 | c1cnc(nc1c.... |
75 | 6QAL | - | HV2 | C3 H6 O3 S | C1C(CS1(=O.... |
76 | 3I5Z | Ki = 2 nM | Z48 | C24 H23 N5 O2 | Cc1cnc(nc1.... |
77 | 6QA4 | - | HRZ | C5 H5 N O | C1=CC(=O)N.... |
78 | 4N0S | - | DHC | C9 H8 O4 | c1cc(c(cc1.... |
79 | 5NHP | ic50 = 0.023 uM | 8XK | C19 H23 N7 O2 | Cn1c(ccn1).... |
80 | 3I60 | Ki < 2 nM | E86 | C24 H22 Cl N5 O2 | Cc1cnc(nc1.... |
81 | 4XP2 | - | TT4 | C8 H9 N5 | c1ccc(cc1).... |
82 | 1PME | Ki = 0.76 nM | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
83 | 6Q7T | - | HOW | C3 H4 N2 O | c1conc1N |
84 | 5NHL | ic50 < 0.0003 uM | 8XB | C20 H25 N7 O2 | Cc1cnc(nc1.... |
85 | 5HD4 | - | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
86 | 6G97 | ic50 = 4.2 nM | EQZ | C20 H23 Cl N4 O3 | COCCN1Cc2c.... |
87 | 6G92 | ic50 = 76000 nM | ERZ | C10 H13 N5 | Cc1cnc(nc1.... |
88 | 5K4I | ic50 = 3.1 nM | 6QB | C21 H18 Cl F N6 O2 | Cn1c(ccn1).... |
89 | 4FA2 | - | SB0 | C20 H21 F N4 O2 | COc1nccc(n.... |
90 | 2GHM | - | LIC | C24 H28 Cl N5 O3 | C[C@@H](C(.... |
91 | 1W84 | ic50 = 35 uM | L12 | C15 H14 N2 | c1ccc2c(c1.... |
92 | 6M95 | ic50 = 140 nM | J8S | C21 H25 N O2 S | COc1cc(ccc.... |
93 | 4EH5 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
94 | 2BAK | Kd = 37 nM | AQZ | C32 H37 N7 O4 | Cc1ccc(cc1.... |
95 | 3HV6 | ic50 = 5500 nM | R39 | C27 H35 N5 O3 | Cc1ccc(cc1.... |
96 | 3HP2 | - | P36 | C19 H16 Br N O2 | c1ccc(cc1).... |
97 | 6M9L | ic50 = 29 nM | J9G | C19 H14 F2 N4 O | c1ccc(cc1).... |
98 | 1WBO | ic50 = 1 mM | 2CH | C6 H5 Cl O | c1ccc(c(c1.... |
99 | 4KIQ | ic50 = 23 nM | 1RA | C23 H23 N3 O4 | CCOC(=O)n1.... |
100 | 3GC7 | ic50 = 0.4 nM | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
101 | 4EH6 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
102 | 5MTX | Kd = 17.7 nM | FJI | C34 H31 F N4 O5 | c1ccc(cc1).... |
103 | 2ZB0 | Ki = 0.24 uM | GK3 | C24 H18 N4 O2 | Cc1ccc(cc1.... |
104 | 2GTM | ic50 = 542 nM | LID | C19 H15 Cl F2 N6 | CCn1c2c(cn.... |
105 | 5N66 | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
106 | 2YIX | Kd = 3.3 nM | YIX | C19 H23 N5 O S | CCNC(=O)NC.... |
107 | 3OCG | ic50 = 3 nM | OCG | C21 H18 N6 O3 | Cc1ccc(cc1.... |
108 | 1BL7 | - | SB4 | C18 H19 F N6 | c1cc(ccc1c.... |
109 | 3P7C | ic50 = 0.022 uM | P7C | C25 H33 Cl2 N5 O3 S | CC(C)(C)c1.... |
110 | 5TBE | Kd = 4.4 nM | 78L | C33 H30 F2 N4 O4 S | c1cc(sc1)C.... |
111 | 4KIP | ic50 = 7 nM | 1R9 | C21 H18 Cl N3 O2 S | Cc1ccc(cc1.... |
112 | 2EWA | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
113 | 2GHL | - | LIB | C23 H26 Cl N5 O3 | C[C@@H](C(.... |
114 | 1ZZ2 | ic50 = 6 uM | B11 | C24 H26 F N3 O4 S | c1ccc(c(c1.... |
115 | 3ZSI | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
116 | 2YIW | - | YIW | C30 H33 N7 O S | CC(C)c1nnc.... |
117 | 5WJJ | ic50 = 5.4 nM | AQY | C25 H19 F N6 O2 | Cc1cc(ccc1.... |
118 | 1A9U | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
119 | 1M7Q | ic50 = 2.6 nM | DQO | C24 H20 Cl2 F2 N4 O | c1cc(c(c(c.... |
120 | 5MTY | Kd = 1.3 nM | HB9 | C29 H23 F2 N3 O4 S | c1cc(sc1)C.... |
121 | 6HWU | ic50 = 54.7 nM | GE5 | C31 H26 F N5 O3 S | COc1ccc(c(.... |
122 | 4EH7 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
123 | 1YQJ | ic50 = 7.3 nM | 6NP | C30 H27 N5 | c1ccc(cc1).... |
124 | 4EH3 | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
125 | 4AA5 | ic50 = 6.7 nM | NQB | C24 H27 N5 O2 | Cc1ccc(cc1.... |
126 | 1OVE | ic50 = 0.74 nM | 358 | C26 H22 Cl2 F2 N2 O | c1cc(c(c(c.... |
127 | 3UVP | ic50 = 0.035 uM | 048 | C24 H21 F N2 O2 | c1ccc(cc1).... |
128 | 5N67 | - | 8ON | C28 H30 N6 O | CC(=O)N1CC.... |
129 | 3NNV | ic50 = 27 nM | 437 | C25 H26 N4 O2 | CC(C)(C)c1.... |
130 | 3CTQ | ic50 = 40 nM | 337 | C30 H34 N6 O5 S | Cc1ccc(cc1.... |
131 | 3IW7 | - | IPK | C26 H26 N4 O S | c1ccc(cc1).... |
132 | 3ITZ | ic50 = 1.4 nM | P66 | C21 H15 Cl F2 N6 O | c1cc(c(c(c.... |
133 | 2ZB1 | Ki = 0.48 uM | GK4 | C21 H21 N3 O2 | Cc1ccc(cc1.... |
134 | 3HV5 | ic50 = 150 nM | R24 | C30 H29 N7 O3 | Cc1ccc(cc1.... |
135 | 1WBW | ic50 = 44 uM | LI4 | C16 H14 N2 O | c1ccc2c(c1.... |
136 | 3P79 | ic50 = 2.3 uM | P79 | C24 H29 N5 O4 S | CC(C)(C)c1.... |
137 | 3HV7 | ic50 = 90 nM | 1AU | C24 H25 N5 O | CC(C)(C)c1.... |
138 | 3GFE | ic50 = 3.2 nM | P37 | C24 H21 F2 N5 O2 | Cc1ccc(cc1.... |
139 | 3ZYA | - | 2A8 | C21 H18 N2 O | c1ccc2c(c1.... |
140 | 2RG5 | ic50 = 3.1 nM | 279 | C19 H22 N6 O3 | CCNC(=O)c1.... |
141 | 3L8X | ic50 = 10 nM | N4D | C20 H18 N6 O | Cc1ccc(cc1.... |
142 | 5OMH | - | 9Y5 | C16 H12 Cl N3 O2 S | Cc1c2c(n(n.... |
143 | 3GCS | Kd = 56 nM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
144 | 6OHD | ic50 = 0.42 nM | MKP | C21 H21 N5 O3 | Cc1ccc(cc1.... |
145 | 3ZS5 | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
146 | 3D83 | Ki = 4.4 nM | GK6 | C28 H30 N4 O3 | Cc1ccc(cc1.... |
147 | 1YW2 | ic50 = 141 nM | PGJ | C22 H18 F N3 O5 | CCOC[N@]1C.... |
148 | 1W82 | ic50 = 196 nM | L10 | C20 H21 Cl N4 O | CC(C)(C)C1.... |
149 | 3ZSG | - | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
150 | 5TCO | Kd = 3.14 nM | 79Q | C35 H33 F N4 O4 | c1ccc(cc1).... |
151 | 6HWT | - | GXH | C31 H28 F N5 O3 S | COc1ccc(c(.... |
152 | 4EH8 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
153 | 3GCP | Kd = 15 nM | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
154 | 3HLL | Ki = 0.0058 uM | I45 | C22 H19 Br F2 N2 O3 | Cc1ccc(cc1.... |
155 | 1ZZL | ic50 = 5 nM | TZY | C18 H15 F N4 O | CC(C)c1nnc.... |
156 | 2RG6 | ic50 = 2.2 nM | 287 | C25 H26 N6 O3 | Cc1ccc(cc1.... |
157 | 3MPT | ic50 = 0.25 uM | 1GK | C18 H16 N2 O3 | Cc1ccccc1C.... |
158 | 5OMG | - | 9Y8 | C16 H12 F N3 O2 S | CN1c2c([nH.... |
159 | 1BL6 | - | SB6 | C18 H16 F N3 | c1cc(ccc1c.... |
160 | 3NNW | ic50 = 9 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
161 | 3GI3 | Kd < 1.8 nM | B10 | C33 H39 N5 O5 S | CC(C)(C)c1.... |
162 | 3K3J | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
163 | 3HEC | ic50 = 70 uM | STI | C29 H31 N7 O | Cc1ccc(cc1.... |
164 | 1IAN | - | D13 | C21 H16 I N3 O S | C[S@@](=O).... |
165 | 3FC1 | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
166 | 3MVM | ic50 = 13 nM | 39P | C22 H23 N7 O3 | CCCNC(=O)c.... |
167 | 3NNU | ic50 = 48 nM | EDB | C22 H17 Cl2 N5 O2 S | c1cc(cc(c1.... |
168 | 1W7H | ic50 = 1 mM | 3IP | C12 H12 N2 O | c1ccc(cc1).... |
169 | 3U8W | ic50 = 1 nM | 09J | C24 H21 Cl F N5 O2 | CCN1C(=O)C.... |
170 | 1WBS | ic50 = 0.63 uM | LI2 | C26 H25 F N4 O2 | c1cc2c(cc1.... |
171 | 4E6C | Kd ~ 15 uM | 0O8 | C25 H53 N O4 P | CCCCCCCCCC.... |
172 | 5N68 | - | 8OK | C26 H27 N5 O | c1ccc(cc1).... |
173 | 1WBV | ic50 = 162 uM | LI3 | C19 H18 F N3 O2 | c1cc2c(cc[.... |
174 | 4EH2 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
175 | 3HA8 | - | 5JZ | C36 H38 N8 O5 | CCOc1nc(nc.... |
176 | 3HEG | ic50 = 0.057 uM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
177 | 2ZAZ | Ki = 0.4 uM | GK1 | C20 H15 N3 O2 S | Cc1ccc(cc1.... |
178 | 3HP5 | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
179 | 5ML5 | ic50 = 10 nM | 1VI | C26 H25 F N4 O3 S | COc1ccc(c(.... |
180 | 4DLI | Kd = 2.4 uM | IRG | C17 H16 N4 | c1ccc(cc1).... |
181 | 3P78 | ic50 = 0.11 uM | P78 | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
182 | 4EH9 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
183 | 1YWR | ic50 = 32 nM | LI9 | C27 H29 F N6 O | C[C@@H](c1.... |
184 | 3IW5 | Kd = 0.839 uM | DF3 | C28 H24 F3 N3 O4 S | c1ccc2c(c1.... |
185 | 3HV3 | ic50 = 900 nM | R49 | C30 H31 N7 O | Cc1cccc(c1.... |
186 | 6HWV | ic50 = 115 nM | GEW | C32 H28 F2 N6 O3 | Cn1c(c(nc1.... |
187 | 4A9Y | - | AQZ | C32 H37 N7 O4 | Cc1ccc(cc1.... |
188 | 3GCU | - | R48 | C29 H30 N8 O | Cc1ccc(cc1.... |
189 | 1OUY | ic50 = 4.3 nM | 094 | C24 H18 Cl2 F2 N4 O S | c1cc(c(c(c.... |
190 | 3D7Z | Ki = 12 nM | GK5 | C22 H24 N2 O2 | Cc1ccc(cc1.... |
191 | 2YIS | - | YIS | C35 H34 Cl N7 O3 S2 | CC(C)(C)c1.... |
192 | 1OUK | ic50 = 0.13 nM | 084 | C28 H29 F3 N6 | C[C@@H](c1.... |
193 | 3BV2 | Ki = 0.44 nM | P38 | C33 H32 N8 O3 | Cc1ccc(cc1.... |
194 | 4R3C | - | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
195 | 4L8M | ic50 = 0.001 uM | F46 | C33 H30 F N3 O5 | c1ccc(cc1).... |
196 | 4E6A | - | 0O9 | C32 H65 O10 P | CCCCCCCCCC.... |
197 | 1WBN | ic50 = 0.35 uM | L09 | C20 H22 Cl N5 O2 | CC(C)(C)c1.... |
198 | 2QD9 | ic50 = 13 nM | LGF | C27 H24 F2 N6 O5 | COc1c(cc2c.... |
199 | 3HUC | Kd = 1030 nM | G97 | C20 H16 N6 O | C=CC(=O)Nc.... |
200 | 3HL7 | Ki = 0.023 uM | I47 | C20 H20 Cl N5 O2 | c1cc(ccc1c.... |
201 | 4EHV | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
202 | 2GTN | ic50 = 4 nM | LIE | C20 H16 F3 N5 O | CC(C)n1c2c.... |
203 | 3HRB | ic50 = 21 nM | I39 | C19 H14 F2 N2 O2 | Cc1ccccc1c.... |
204 | 3BX5 | ic50 = 1.5 nM | 304 | C17 H22 N4 O2 S | CC[C@@H](C.... |
205 | 3HVC | ic50 = 600 nM | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
206 | 2GFS | ic50 = 0.7 uM | PQB | C19 H18 F N3 O4 | c1cc(cc(c1.... |
207 | 5N63 | - | 8OW | C21 H17 F N4 | c1ccc(cc1).... |
208 | 2NPQ | Kd = 3.08 uM | BOG | C14 H28 O6 | CCCCCCCCO[.... |
209 | 3IW6 | Kd = 3.29 uM | PP0 | C23 H31 N3 O3 | CCn1c(c(c(.... |
210 | 3S4Q | ic50 = 4 nM | NK0 | C25 H23 N5 O2 | Cc1ccc(cc1.... |
211 | 2BAJ | Kd = 4 nM | 1PP | C20 H20 Cl2 N4 O | CC(C)(C)c1.... |
212 | 3ROC | - | 29B | C14 H10 F N3 | c1cc(ccc1c.... |
213 | 3NWW | ic50 = 7 nM | 3NW | C24 H34 N8 O S | CCNC(=O)NC.... |
214 | 1W83 | ic50 = 0.065 uM | L11 | C23 H25 Cl F N3 O3 | c1cc(cnc1).... |
215 | 3ZSH | - | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
216 | 3IPH | Ki = 0.0000251 mM | G11 | C21 H23 N3 O2 | Cc1ccc(cc1.... |
217 | 5MZ3 | ic50 = 0.00021 uM | 8EN | C24 H19 F3 N4 O2 | Cc1ccc(cc1.... |
218 | 3P7B | ic50 = 0.018 uM | P7B | C25 H28 N4 O3 S | CC(C)(C)c1.... |
219 | 3GCQ | Kd = 342 nM | 1BU | C29 H30 N8 O | Cc1cccc(c1.... |
220 | 4F9Y | Ki = 184 nM | LM3 | C21 H18 N4 | CN(C)c1cc(.... |
221 | 2BAL | Kd = 490 nM | PQA | C21 H21 F N4 O2 | c1cc(cc(c1.... |
222 | 3HUB | Kd = 8.2 nM | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
223 | 4F9W | Ki = 114 nM | LM4 | C21 H18 N4 | CN(C)c1cc(.... |
224 | 3P5K | ic50 = 0.076 uM | P5K | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
225 | 2I0H | ic50 = 9 nM | 222 | C27 H19 Cl2 F N4 O3 | c1ccc2c(c1.... |
226 | 1ZYJ | ic50 = 1.5 uM | BI5 | C19 H16 N2 O2 | c1ccc(cc1).... |
227 | 3K3I | - | JZJ | C18 H16 Br N3 | c1ccc2c(c1.... |
228 | 1WBT | ic50 = 0.34 uM | WBT | C26 H25 F N4 O2 | c1cc(cc2c1.... |
229 | 1BMK | - | SB5 | C17 H16 F N5 | c1cc(ccc1c.... |
230 | 3E92 | Ki = 10 nM | G6A | C21 H21 N3 O2 | Cc1ccc(cc1.... |
231 | 3P7A | ic50 = 0.52 uM | P7A | C23 H27 N3 O3 S2 | CC(C)(C)c1.... |
232 | 6ANL | ic50 = 240 nM | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
233 | 3NNX | ic50 = 11 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
234 | 4EH4 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
235 | 1KV1 | Kd = 1.16 uM | BMU | C15 H19 Cl N4 O | CC(C)(C)c1.... |
236 | 3KF7 | ic50 = 40 nM | L9G | C22 H18 F2 N4 O | Cc1ccc(cc1.... |
237 | 4KIN | ic50 = 4.8 nM | 1M8 | C22 H19 Cl N2 O2 S | Cc1ccc(cc1.... |
238 | 4AA4 | ic50 = 9 nM | QC0 | C25 H25 N5 O3 | Cc1ccc(cc1.... |
239 | 5XYY | ic50 = 9.221 uM | P0F | C15 H12 Cl F N4 O | c1cc(cc(c1.... |
240 | 3E93 | Ki = 1.4 nM | 19B | C30 H32 N4 O3 | Cc1ccc(cc1.... |
241 | 4AAC | ic50 = 16 nM | AAV | C24 H24 N6 O3 | Cc1ccc(cc1.... |
242 | 4AA0 | ic50 = 35 nM | AA0 | C30 H33 N7 O3 | Cc1ccc(cc1.... |
243 | 1OZ1 | ic50 = 6.5 nM | FPH | C18 H12 F N3 O | c1cc2c(c(c.... |
244 | 5N64 | - | 8OH | C19 H16 N4 S | c1ccc(cc1).... |
245 | 3IW8 | Kd = 13.4 uM | HIZ | C19 H18 Cl F N4 O2 S | c1ccc(cc1).... |
246 | 3TTI | ic50 = 0.006 uM | KBI | C21 H23 F3 N6 O2 | c1c(cc(c(c.... |
247 | 3TTJ | ic50 = 0.21 uM | JBI | C23 H23 F N6 O | COc1ccc(cc.... |
248 | 1JNK | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
249 | 3KVX | ic50 = 0.148 uM | FMY | C26 H27 F N8 O2 | c1cc(ccc1/.... |
250 | 4H39 | Kd = 0.8 uM | PRO LYS ARG PRO THR THR LEU ASN LEU PHE | n/a | n/a |
251 | 4AWI | ic50 = 1 uM | AQ2 | C21 H25 N3 O4 S2 | CC(C)c1cc2.... |
252 | 2O0U | ic50 = 3.2 uM | C0M | C27 H28 N4 O2 S | c1ccc2c(c1.... |
253 | 2P33 | ic50 = 57 nM | J07 | C20 H23 Cl N6 O | CCNC(=O)N1.... |
254 | 2ZDU | - | 446 | C28 H23 Br N2 O6 | COC(=O)C1=.... |
255 | 2B1P | ic50 = 3 nM | AIZ | C26 H26 Cl N5 O3 | CN(C)CCCC(.... |
256 | 2OK1 | Ki = 0.55 uM | 33A | C21 H17 Cl N4 O | c1ccc(cc1).... |
257 | 3OXI | ic50 = 2.2 uM | SYY | C12 H11 N O3 S2 | COC(=O)c1c.... |
258 | 3OY1 | ic50 = 0.016 uM | 589 | C28 H31 N5 O2 | c1ccc2cc(c.... |
259 | 6EMH | ic50 = 833 nM | BGE | C19 H21 N5 O | Cc1c([nH]c.... |
260 | 2ZDT | - | 46C | C26 H20 Cl N O4 | CCC(=O)C1=.... |
261 | 3ELJ | - | GS7 | C22 H21 F N6 O4 S | COc1cc(ccc.... |
262 | 3FI2 | ic50 = 0.025 uM | JK1 | C26 H25 N5 O5 | COc1cc(cc(.... |
263 | 4L7F | ic50 = 160 nM | 1V5 | C26 H26 F N5 O2 | c1cc(ccc1C.... |
264 | 6EQ9 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
265 | 2WAJ | ic50 = 0.398 uM | SNB | C16 H13 Br Cl N O | COc1cc2c(c.... |
266 | 4QTD | ic50 = 1080 nM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
267 | 6EKD | ic50 = 184 nM | B9K | C20 H23 N5 O S | Cc1c([nH]c.... |
268 | 3G9L | Ki = 0.74 uM | J67 | C25 H19 F N2 O4 | c1ccc(cc1).... |
269 | 4Y46 | ic50 = 11 nM | 4F2 | C22 H32 N6 O2 | CC(C)NC(=O.... |
270 | 1PMN | ic50 = 7.1 nM | 984 | C25 H30 Cl2 N6 | CCCn1c(c(n.... |
271 | 3FI3 | ic50 = 12 nM | JK2 | C29 H25 F N4 O4 | COc1cc(cc(.... |
272 | 2O2U | ic50 = 4 uM | 738 | C16 H13 F N2 O S | c1ccc(c(c1.... |
273 | 4W4V | ic50 = 866 nM | 3H8 | C23 H19 Cl N6 O2 | Cc1cc(ccn1.... |
274 | 3DA6 | - | BZ9 | C28 H23 N7 O | Cc1cc(c2cc.... |
275 | 2R9S | ic50 = 0.15 uM | 255 | C24 H24 N4 O2 S | CC(C)(C)NS.... |
276 | 4Y5H | ic50 = 15 nM | 519 | C20 H30 N6 O2 | CC(C)NC(=O.... |
277 | 4X21 | Kd = 36 nM | 3WH | C20 H23 I N6 O | CCNC(=O)N1.... |
278 | 3RTP | ic50 = 7 nM | 34I | C18 H14 N6 O2 S | c1ccc2c(c1.... |
279 | 3PZE | - | CFK | C12 H11 N3 O2 S | c1ccc(cc1).... |
280 | 4Z9L | ic50 = 1.6 nM | 880 | C27 H34 Cl2 N6 | CCCn1c(c(n.... |
281 | 4WHZ | ic50 < 1 nM | 3NL | C24 H23 Cl N8 O2 | c1ccc(c(c1.... |
282 | 4W4Y | ic50 = 3034 nM | 3HQ | C24 H22 N6 O2 | Cc1ccc(cc1.... |
283 | 4W4W | ic50 = 6630 nM | 3HJ | C23 H20 N6 O2 | Cc1cc(ccn1.... |
284 | 3G90 | Ki = 0.44 uM | J72 | C17 H12 F2 N2 O4 | c1cc2c(cc1.... |
285 | 1PMV | ic50 = 150 nM | 537 | C14 H8 N2 O | c1ccc2c(c1.... |
286 | 3GC8 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
287 | 3GC9 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
288 | 2PVH | Ki = 0.26 uM | P19 | C17 H14 N6 | c1ccc(cc1).... |
289 | 5BYZ | ic50 = 0.042 uM | 4WE | C25 H32 F N7 O | Cc1ncc(n1C.... |
290 | 6HKN | ic50 = 0.051 uM | G9E | C22 H21 F3 N4 O3 | COc1ccc2c(.... |
291 | 4ZSJ | ic50 = 2.3 uM | 4R0 | C13 H17 Cl N6 O | Cc1cc(ccc1.... |
292 | 4ZSG | - | 4QX | C12 H15 Cl N6 O | CC(C)NC(=O.... |
293 | 6HKM | ic50 = 270 nM | G92 | C23 H22 F3 N3 O4 | COc1cc2c(c.... |
294 | 6KO6 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
295 | 2F9G | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
296 | 2B9F | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
297 | 5AWM | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
298 | 4EYM | - | 0RX | C21 H20 N4 O3 | c1cc(ccc1N.... |
299 | 5EKO | ic50 = 15785 nM | N17 | C22 H18 N4 O2 | Cc1cn(cn1).... |
300 | 4EYJ | - | N61 | C20 H23 N5 O2 | CC(C)(C)c1.... |
301 | 1CM8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
302 | 4QTB | Kd = 0.084 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
303 | 2ZOQ | ic50 = 0.9 uM | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
304 | 6GES | - | EWH | C24 H26 Cl N7 O | CN1CCN(CC1.... |
305 | 3NPC | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
306 | 3E7O | ic50 = 120 nM | 35F | C20 H14 N6 O2 | c1cc(cc(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AIZ | 1 | 1 |