Receptor
PDB id Resolution Class Description Source Keywords
5DHJ 2.46 Å EC: 2.7.1.37 PIM1 IN COMPLEX WITH CPD4 (3-METHYL-5-(PYRIDIN-3-YL)-1H-PYRA C]PYRIDINE) HOMO SAPIENS PIM-1 KINASE ATP-COMPETITIVE STRUCTURE-BASED DRUG DESIGNTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF 3,5-SUBSTITUTED 6-AZAINDAZOLES AS POTE PAN-PIM INHIBITORS. BIOORG.MED.CHEM.LETT. V. 25 5258 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:403;
A:402;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
5E5 A:401;
 Valid;
 none;
 Ki = 0.2 uM
210.235 C12 H10 N4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N70 2.1 Å EC: 2.7.1.37 PIM1 COMPLEXED WITH A PYRIDYLCARBOXAMIDE HOMO SAPIENS KINASE PHOSPHORYLATION TRANSFERASE-TRANSFERASE INHIBITOR C
Ref.: STRUCTURE GUIDED OPTIMIZATION, IN VITRO ACTIVITY, A VIVO ACTIVITY OF PAN-PIM KINASE INHIBITORS. ACS MED CHEM LETT V. 4 1193 2013
Members (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1XR1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
3 5TEX ic50 = 0.4 uM 7AU C25 H25 Cl N4 O Cn1c(c(c2c....
4 4MTA - 2D2 C12 H10 O3 Cc1c(cc(o1....
5 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
6 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
7 5IIS Ki < 0.001 uM 6CB C23 H19 F N6 O Cc1cc(cc(n....
8 6L11 ic50 = 705 nM E2C C21 H27 Cl N2 O CCN(CC)CCC....
9 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
10 4XH6 ic50 = 2.71 uM HUL C16 H12 O6 COc1c(cc2c....
11 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
12 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
13 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
14 5O12 - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
15 5VUA ic50 = 92 nM 8GX C22 H22 N4 O3 COc1ccc2c(....
16 5IPJ Kd = 1.3 nM 6CD C20 H23 N5 O2 C[C@@H]1c2....
17 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
18 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
19 5VUB ic50 = 447 nM 8GU C22 H22 N4 O3 COc1ccc2c(....
20 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
21 5TOE ic50 = 2.5 uM 7GK C18 H17 N5 c1cc(ccc1c....
22 4WT6 ic50 = 0.012 uM 3U6 C20 H20 N6 S c1cc(nc(c1....
23 5O13 - 9G5 C26 H24 Cl N3 O3 CN1CCCN(CC....
24 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 C[C@H]1CN(....
25 4WRS ic50 = 0.4 nM 3U1 C24 H21 F2 N5 O c1cc(c(c(c....
26 2XIX - XIX C2 H5 N5 c1([nH]nc(....
27 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
28 3VBQ ic50 = 470 pM 0F5 C20 H21 N5 O2 S c1cc(cc(c1....
29 5TEL - 7AJ C24 H28 Cl N5 O2 CN1CCN(CC1....
30 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
31 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
32 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
33 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
34 6VRV - WFY C15 H18 Cl F N4 O Cc1cn(c2c1....
35 5V80 - 971 C20 H24 N8 O CN1CCN(CC1....
36 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
37 6L14 ic50 = 181.5 nM E2L C20 H23 Cl N2 O c1ccc2c(c1....
38 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
39 5O11 ic50 = 0.216 uM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
40 6L16 ic50 = 1.7 nM E2U C20 H25 Cl N4 O c1cc2c(cc1....
41 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
42 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
43 5DIA - 5E6 C22 H23 N7 c1cc(nc(c1....
44 5KZI ic50 = 0.07 nM 6YN C22 H21 F2 N7 c1cc(c(c(c....
45 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
46 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
47 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
48 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
49 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
50 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
51 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 C[C@@]12[C....
52 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
53 2O64 ic50 = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
54 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
55 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
56 6VRU - ROY C17 H20 Cl2 N4 O c1c(c2c(c(....
57 2O63 ic50 = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
58 5V82 Ki = 0.07 nM 96Y C21 H19 F2 N7 Cc1cncc(n1....
59 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
60 5DHJ Ki = 0.2 uM 5E5 C12 H10 N4 Cc1c2cc(nc....
61 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
62 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
63 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
64 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
65 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
66 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
67 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
68 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
69 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
70 5DGZ Ki = 14 nM L20 C24 H23 N5 O Cc1c2cc(cc....
71 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
72 5EOL ic50 = 0.3 nM 5QO C21 H21 N5 O Cc1c2nc3c(....
73 5VUC ic50 = 2 nM 8GR C23 H23 N3 O3 COc1ccc2c(....
74 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
75 6L17 - E2X C19 H23 Cl N4 O c1cncc2c1N....
76 3BWF ic50 = 200 pM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
77 6MT0 - JYG C23 H25 N5 O2 C[C@@H]1c2....
78 4WSY ic50 = 0.017 uM 3U5 C19 H13 N5 S c1ccc2c(c1....
79 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
80 5DWR Ki < 0.001 uM 5H7 C24 H23 F3 N4 O C[C@H]1C[C....
81 6L13 ic50 = 241.7 nM E2F C19 H21 Cl N2 O c1ccc2c(c1....
82 4XHK ic50 = 5 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
83 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
84 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
85 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
86 6NO9 Ki = 0.03 nM KUV C20 H22 F3 N7 O S Cn1c(c(cn1....
87 6L12 ic50 = 162 nM E2R C19 H21 Cl N2 O c1ccc2c(c1....
88 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
70% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1XR1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
3 5TEX ic50 = 0.4 uM 7AU C25 H25 Cl N4 O Cn1c(c(c2c....
4 4MTA - 2D2 C12 H10 O3 Cc1c(cc(o1....
5 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
6 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
7 5IIS Ki < 0.001 uM 6CB C23 H19 F N6 O Cc1cc(cc(n....
8 6L11 ic50 = 705 nM E2C C21 H27 Cl N2 O CCN(CC)CCC....
9 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
10 4XH6 ic50 = 2.71 uM HUL C16 H12 O6 COc1c(cc2c....
11 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
12 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
13 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
14 5O12 - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
15 5VUA ic50 = 92 nM 8GX C22 H22 N4 O3 COc1ccc2c(....
16 5IPJ Kd = 1.3 nM 6CD C20 H23 N5 O2 C[C@@H]1c2....
17 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
18 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
19 5VUB ic50 = 447 nM 8GU C22 H22 N4 O3 COc1ccc2c(....
20 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
21 5TOE ic50 = 2.5 uM 7GK C18 H17 N5 c1cc(ccc1c....
22 4WT6 ic50 = 0.012 uM 3U6 C20 H20 N6 S c1cc(nc(c1....
23 5O13 - 9G5 C26 H24 Cl N3 O3 CN1CCCN(CC....
24 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 C[C@H]1CN(....
25 4WRS ic50 = 0.4 nM 3U1 C24 H21 F2 N5 O c1cc(c(c(c....
26 2XIX - XIX C2 H5 N5 c1([nH]nc(....
27 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
28 3VBQ ic50 = 470 pM 0F5 C20 H21 N5 O2 S c1cc(cc(c1....
29 5TEL - 7AJ C24 H28 Cl N5 O2 CN1CCN(CC1....
30 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
31 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
32 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
33 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
34 6VRV - WFY C15 H18 Cl F N4 O Cc1cn(c2c1....
35 5V80 - 971 C20 H24 N8 O CN1CCN(CC1....
36 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
37 6L14 ic50 = 181.5 nM E2L C20 H23 Cl N2 O c1ccc2c(c1....
38 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
39 5O11 ic50 = 0.216 uM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
40 6L16 ic50 = 1.7 nM E2U C20 H25 Cl N4 O c1cc2c(cc1....
41 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
42 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
43 5DIA - 5E6 C22 H23 N7 c1cc(nc(c1....
44 5KZI ic50 = 0.07 nM 6YN C22 H21 F2 N7 c1cc(c(c(c....
45 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
46 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
47 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
48 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
49 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
50 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
51 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 C[C@@]12[C....
52 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
53 2O64 ic50 = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
54 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
55 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
56 6VRU - ROY C17 H20 Cl2 N4 O c1c(c2c(c(....
57 2O63 ic50 = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
58 5V82 Ki = 0.07 nM 96Y C21 H19 F2 N7 Cc1cncc(n1....
59 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
60 5DHJ Ki = 0.2 uM 5E5 C12 H10 N4 Cc1c2cc(nc....
61 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
62 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
63 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
64 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
65 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
66 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
67 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
68 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
69 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
70 5DGZ Ki = 14 nM L20 C24 H23 N5 O Cc1c2cc(cc....
71 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
72 5EOL ic50 = 0.3 nM 5QO C21 H21 N5 O Cc1c2nc3c(....
73 5VUC ic50 = 2 nM 8GR C23 H23 N3 O3 COc1ccc2c(....
74 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
75 6L17 - E2X C19 H23 Cl N4 O c1cncc2c1N....
76 3BWF ic50 = 200 pM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
77 6MT0 - JYG C23 H25 N5 O2 C[C@@H]1c2....
78 4WSY ic50 = 0.017 uM 3U5 C19 H13 N5 S c1ccc2c(c1....
79 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
80 5DWR Ki < 0.001 uM 5H7 C24 H23 F3 N4 O C[C@H]1C[C....
81 6L13 ic50 = 241.7 nM E2F C19 H21 Cl N2 O c1ccc2c(c1....
82 4XHK ic50 = 5 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
83 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
84 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
85 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
86 6NO9 Ki = 0.03 nM KUV C20 H22 F3 N7 O S Cn1c(c(cn1....
87 6L12 ic50 = 162 nM E2R C19 H21 Cl N2 O c1ccc2c(c1....
88 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1XR1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
3 5TEX ic50 = 0.4 uM 7AU C25 H25 Cl N4 O Cn1c(c(c2c....
4 4MTA - 2D2 C12 H10 O3 Cc1c(cc(o1....
5 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
6 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
7 5IIS Ki < 0.001 uM 6CB C23 H19 F N6 O Cc1cc(cc(n....
8 6L11 ic50 = 705 nM E2C C21 H27 Cl N2 O CCN(CC)CCC....
9 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
10 4XH6 ic50 = 2.71 uM HUL C16 H12 O6 COc1c(cc2c....
11 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
12 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
13 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
14 5O12 - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
15 5VUA ic50 = 92 nM 8GX C22 H22 N4 O3 COc1ccc2c(....
16 5IPJ Kd = 1.3 nM 6CD C20 H23 N5 O2 C[C@@H]1c2....
17 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
18 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
19 5VUB ic50 = 447 nM 8GU C22 H22 N4 O3 COc1ccc2c(....
20 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
21 5TOE ic50 = 2.5 uM 7GK C18 H17 N5 c1cc(ccc1c....
22 4WT6 ic50 = 0.012 uM 3U6 C20 H20 N6 S c1cc(nc(c1....
23 5O13 - 9G5 C26 H24 Cl N3 O3 CN1CCCN(CC....
24 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 C[C@H]1CN(....
25 4WRS ic50 = 0.4 nM 3U1 C24 H21 F2 N5 O c1cc(c(c(c....
26 2XIX - XIX C2 H5 N5 c1([nH]nc(....
27 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
28 3VBQ ic50 = 470 pM 0F5 C20 H21 N5 O2 S c1cc(cc(c1....
29 5TEL - 7AJ C24 H28 Cl N5 O2 CN1CCN(CC1....
30 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
31 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
32 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
33 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
34 6VRV - WFY C15 H18 Cl F N4 O Cc1cn(c2c1....
35 5V80 - 971 C20 H24 N8 O CN1CCN(CC1....
36 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
37 6L14 ic50 = 181.5 nM E2L C20 H23 Cl N2 O c1ccc2c(c1....
38 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
39 5O11 ic50 = 0.216 uM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
40 6L16 ic50 = 1.7 nM E2U C20 H25 Cl N4 O c1cc2c(cc1....
41 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
42 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
43 5DIA - 5E6 C22 H23 N7 c1cc(nc(c1....
44 5KZI ic50 = 0.07 nM 6YN C22 H21 F2 N7 c1cc(c(c(c....
45 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
46 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
47 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
48 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
49 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
50 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
51 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 C[C@@]12[C....
52 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
53 2O64 ic50 = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
54 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
55 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
56 6VRU - ROY C17 H20 Cl2 N4 O c1c(c2c(c(....
57 2O63 ic50 = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
58 5V82 Ki = 0.07 nM 96Y C21 H19 F2 N7 Cc1cncc(n1....
59 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
60 5DHJ Ki = 0.2 uM 5E5 C12 H10 N4 Cc1c2cc(nc....
61 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
62 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
63 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
64 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
65 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
66 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
67 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
68 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
69 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
70 5DGZ Ki = 14 nM L20 C24 H23 N5 O Cc1c2cc(cc....
71 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
72 5EOL ic50 = 0.3 nM 5QO C21 H21 N5 O Cc1c2nc3c(....
73 5VUC ic50 = 2 nM 8GR C23 H23 N3 O3 COc1ccc2c(....
74 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
75 6L17 - E2X C19 H23 Cl N4 O c1cncc2c1N....
76 3BWF ic50 = 200 pM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
77 6MT0 - JYG C23 H25 N5 O2 C[C@@H]1c2....
78 4WSY ic50 = 0.017 uM 3U5 C19 H13 N5 S c1ccc2c(c1....
79 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
80 5DWR Ki < 0.001 uM 5H7 C24 H23 F3 N4 O C[C@H]1C[C....
81 6L13 ic50 = 241.7 nM E2F C19 H21 Cl N2 O c1ccc2c(c1....
82 4XHK ic50 = 5 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
83 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
84 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
85 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
86 6NO9 Ki = 0.03 nM KUV C20 H22 F3 N7 O S Cn1c(c(cn1....
87 6L12 ic50 = 162 nM E2R C19 H21 Cl N2 O c1ccc2c(c1....
88 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
89 4X7Q ic50 = 14 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5E5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5E5 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5E5; Similar ligands found: 930
No: Ligand Similarity coefficient
1 5B2 0.9853
2 PIQ 0.9819
3 0SY 0.9742
4 DXK 0.9735
5 ZRK 0.9716
6 LL1 0.9704
7 F40 0.9680
8 0DF 0.9669
9 MIL 0.9658
10 JCZ 0.9638
11 C4E 0.9622
12 363 0.9617
13 KWB 0.9594
14 4AU 0.9579
15 5F8 0.9579
16 JMG 0.9575
17 4FF 0.9564
18 X48 0.9564
19 0UL 0.9562
20 833 0.9553
21 2QU 0.9552
22 BP7 0.9546
23 78Y 0.9526
24 47V 0.9517
25 KF5 0.9516
26 3D8 0.9513
27 XCG 0.9505
28 TMG 0.9492
29 5NN 0.9487
30 FQX 0.9486
31 8CC 0.9483
32 2JX 0.9480
33 5FL 0.9478
34 2GQ 0.9472
35 2P3 0.9465
36 TRP 0.9463
37 7L4 0.9455
38 G14 0.9453
39 RGK 0.9445
40 1HP 0.9441
41 2QV 0.9439
42 9JT 0.9439
43 A6W 0.9438
44 0ON 0.9437
45 LR2 0.9431
46 NK5 0.9430
47 TCR 0.9428
48 9CE 0.9428
49 Q4G 0.9424
50 2D2 0.9422
51 EWG 0.9421
52 RKV 0.9421
53 0OK 0.9421
54 NKI 0.9417
55 AMR 0.9415
56 3VQ 0.9412
57 0LO 0.9410
58 7EH 0.9406
59 ZZA 0.9405
60 DTR 0.9405
61 WLH 0.9403
62 9FH 0.9402
63 6MW 0.9400
64 M4N 0.9393
65 68B 0.9391
66 ODK 0.9390
67 P4L 0.9385
68 KLE 0.9383
69 5AD 0.9383
70 S0D 0.9383
71 3IL 0.9381
72 FYR 0.9378
73 IDZ 0.9378
74 8D6 0.9372
75 A9B 0.9371
76 ZRL 0.9371
77 ANC 0.9371
78 QME 0.9368
79 A73 0.9367
80 1V1 0.9366
81 1V3 0.9366
82 6DQ 0.9363
83 EV2 0.9362
84 H7S 0.9356
85 6QF 0.9355
86 NYJ 0.9353
87 W8L 0.9352
88 II4 0.9352
89 5P3 0.9352
90 V2Z 0.9348
91 L2K 0.9344
92 DFL 0.9342
93 AVX 0.9341
94 LZ5 0.9339
95 CDJ 0.9337
96 4GU 0.9337
97 9UL 0.9335
98 FZM 0.9334
99 AVA 0.9333
100 L5D 0.9333
101 3GX 0.9333
102 20D 0.9333
103 NIY 0.9329
104 VM1 0.9328
105 ZSP 0.9327
106 6FB 0.9326
107 FER 0.9325
108 DHC 0.9325
109 0K7 0.9324
110 IQQ 0.9319
111 YE6 0.9319
112 57D 0.9318
113 ITE 0.9316
114 TI7 0.9316
115 39Z 0.9313
116 RSV 0.9312
117 5WK 0.9310
118 4CN 0.9310
119 WVV 0.9307
120 DDC 0.9303
121 YE7 0.9303
122 H2W 0.9303
123 GO2 0.9302
124 CC5 0.9300
125 5V7 0.9299
126 MJW 0.9299
127 6C8 0.9295
128 BIK 0.9295
129 RVE 0.9295
130 L1T 0.9294
131 1XS 0.9294
132 PUE 0.9286
133 FY8 0.9286
134 3JC 0.9285
135 XI7 0.9284
136 IOP 0.9280
137 M5H 0.9280
138 LUM 0.9279
139 Q0K 0.9278
140 F18 0.9276
141 A5H 0.9276
142 2FX 0.9275
143 H4B 0.9274
144 FCW 0.9270
145 25F 0.9266
146 9BF 0.9265
147 245 0.9264
148 CX6 0.9264
149 5TZ 0.9261
150 0FR 0.9260
151 PRL 0.9259
152 AGI 0.9256
153 LVY 0.9254
154 4G2 0.9253
155 1FL 0.9253
156 X2M 0.9252
157 3VS 0.9246
158 4Z9 0.9246
159 S1D 0.9245
160 2UD 0.9243
161 6FG 0.9242
162 JSX 0.9242
163 I2E 0.9239
164 MR4 0.9239
165 VBC 0.9236
166 LJ3 0.9232
167 AUV 0.9231
168 LJ4 0.9228
169 6H2 0.9225
170 M78 0.9223
171 6C5 0.9221
172 KP2 0.9220
173 C0W 0.9218
174 1DR 0.9217
175 FF2 0.9215
176 5F5 0.9215
177 U13 0.9211
178 5VU 0.9208
179 5C1 0.9205
180 4AB 0.9205
181 3F4 0.9202
182 1Q4 0.9199
183 LIG 0.9199
184 SZ5 0.9197
185 MR6 0.9197
186 GJK 0.9196
187 7G2 0.9195
188 FHV 0.9194
189 H75 0.9192
190 AP6 0.9192
191 K48 0.9190
192 22L 0.9190
193 JAH 0.9188
194 7O4 0.9188
195 BBY 0.9188
196 28B 0.9187
197 5TO 0.9185
198 EQA 0.9185
199 28A 0.9184
200 M3W 0.9183
201 1VK 0.9183
202 5TY 0.9181
203 VC3 0.9177
204 6C9 0.9177
205 3RP 0.9174
206 IQZ 0.9169
207 H2B 0.9165
208 FCD 0.9163
209 PQM 0.9163
210 E3X 0.9161
211 0OP 0.9157
212 N1E 0.9156
213 AJ4 0.9155
214 EQW 0.9154
215 BZQ 0.9151
216 3VW 0.9150
217 E9L 0.9149
218 6C4 0.9147
219 LWS 0.9146
220 EYY 0.9144
221 DRG 0.9144
222 5H6 0.9143
223 X6W 0.9143
224 MXD 0.9142
225 OLU 0.9141
226 3D1 0.9140
227 HRM 0.9139
228 L22 0.9138
229 2LW 0.9134
230 EAT 0.9134
231 38E 0.9131
232 N7I 0.9131
233 1V4 0.9130
234 1SF 0.9129
235 5ER 0.9128
236 D25 0.9127
237 ZEA 0.9124
238 Y3L 0.9124
239 4FE 0.9123
240 LEL 0.9123
241 5ZM 0.9123
242 FHI 0.9122
243 XDK 0.9121
244 5GV 0.9119
245 QR2 0.9119
246 848 0.9114
247 UAY 0.9114
248 LFQ 0.9113
249 HH6 0.9111
250 1A5 0.9110
251 92O 0.9110
252 B4O 0.9110
253 U7E 0.9109
254 DFV 0.9108
255 LR8 0.9108
256 6TJ 0.9107
257 P93 0.9106
258 6NZ 0.9105
259 VT3 0.9104
260 3J8 0.9104
261 272 0.9103
262 3IP 0.9102
263 IIH 0.9101
264 5S9 0.9101
265 NU3 0.9097
266 BVS 0.9095
267 1FE 0.9095
268 2PV 0.9095
269 CBE 0.9093
270 NAR 0.9093
271 DAH 0.9093
272 GO8 0.9091
273 LFN 0.9090
274 S60 0.9088
275 XYP XDN 0.9087
276 A51 0.9087
277 XDN XYP 0.9087
278 1ER 0.9086
279 2J1 0.9085
280 NRA 0.9085
281 JF5 0.9084
282 BGU 0.9084
283 BPY 0.9084
284 ZHA 0.9083
285 6J9 0.9079
286 AN3 0.9079
287 HBI 0.9078
288 CZ0 0.9077
289 QIV 0.9076
290 3SU 0.9076
291 6KT 0.9075
292 3VX 0.9075
293 NE2 0.9073
294 ALE 0.9073
295 N91 0.9073
296 4L2 0.9072
297 MD6 0.9072
298 SOV 0.9072
299 THA 0.9071
300 JGY 0.9070
301 4BX 0.9069
302 PQS 0.9069
303 3DE 0.9068
304 BZE 0.9067
305 2PK 0.9067
306 52F 0.9067
307 C9M 0.9066
308 XEV 0.9065
309 SU9 0.9065
310 WUB 0.9065
311 3AK 0.9065
312 3WL 0.9063
313 HA5 0.9062
314 BHS 0.9062
315 49P 0.9062
316 7G0 0.9061
317 7ZL 0.9061
318 TJM 0.9060
319 1AJ 0.9060
320 4I8 0.9060
321 30G 0.9058
322 PE2 0.9057
323 4ZF 0.9056
324 LTN 0.9056
325 DX2 0.9056
326 JF8 0.9055
327 MMJ 0.9054
328 MR5 0.9052
329 CHQ 0.9051
330 LU2 0.9048
331 4HB 0.9047
332 D64 0.9046
333 OA1 0.9045
334 VUP 0.9045
335 LI7 0.9045
336 TOH 0.9045
337 BIO 0.9044
338 96Z 0.9043
339 D9Z 0.9042
340 H35 0.9042
341 22T 0.9040
342 6HP 0.9039
343 MUK 0.9039
344 GA2 0.9038
345 B4L 0.9038
346 GZ2 0.9038
347 5I5 0.9038
348 IOS 0.9035
349 NEO 0.9034
350 WCU 0.9033
351 D2G 0.9032
352 X0U 0.9031
353 6QT 0.9030
354 PZX 0.9029
355 4RG 0.9028
356 D3G 0.9028
357 ZME 0.9025
358 G6P 0.9025
359 Q2S 0.9024
360 CWE 0.9024
361 ANF 0.9023
362 NW1 0.9022
363 PZ8 0.9021
364 JBZ 0.9020
365 CH9 0.9019
366 G2V 0.9019
367 A5Q 0.9018
368 J38 0.9014
369 6ZW 0.9014
370 3L1 0.9014
371 THM 0.9013
372 XYP XYP 0.9013
373 WG8 0.9011
374 NAL 0.9010
375 JGB 0.9010
376 V1T 0.9010
377 CL9 0.9007
378 6P3 0.9007
379 3Y7 0.9006
380 0NX 0.9006
381 BQ2 0.9006
382 NEU 0.9005
383 4NR 0.9004
384 JP2 0.9004
385 7FZ 0.9000
386 CNI 0.8998
387 KMY 0.8998
388 P7V 0.8998
389 CC6 0.8997
390 FWD 0.8997
391 6HO 0.8996
392 ERZ 0.8995
393 MMS 0.8995
394 O9T 0.8994
395 C0H 0.8994
396 U14 0.8992
397 GVY 0.8992
398 GEN 0.8991
399 344 0.8991
400 NIF 0.8990
401 KMP 0.8990
402 JRO 0.8989
403 27M 0.8989
404 AA 0.8987
405 6XC 0.8986
406 NIR 0.8982
407 PLP 0.8980
408 BZJ 0.8979
409 GNG 0.8979
410 ZTW 0.8978
411 34L 0.8977
412 27F 0.8976
413 2WU 0.8975
414 KYN 0.8973
415 89J 0.8973
416 795 0.8972
417 FC2 0.8972
418 G30 0.8970
419 AOY 0.8970
420 4V2 0.8970
421 BG6 0.8969
422 R20 0.8967
423 NWD 0.8966
424 NFZ 0.8965
425 3C5 0.8964
426 ZIQ 0.8962
427 TIA 0.8961
428 2JK 0.8960
429 B21 0.8959
430 6BK 0.8959
431 A7Q 0.8959
432 XYP XIF 0.8956
433 O9Q 0.8955
434 WV7 0.8955
435 5CD 0.8954
436 GNV 0.8954
437 MKN 0.8954
438 U4J 0.8954
439 OX2 0.8953
440 SWX 0.8953
441 IQW 0.8953
442 GNM 0.8952
443 5F1 0.8951
444 XDL XYP 0.8950
445 XIL 0.8950
446 M6Z 0.8950
447 DBS 0.8950
448 DX7 0.8949
449 TYR 0.8948
450 4BL 0.8948
451 XYS XYP 0.8948
452 2LT 0.8947
453 5WN 0.8943
454 KW7 0.8943
455 MFR 0.8942
456 M83 0.8941
457 EES 0.8940
458 HNT 0.8940
459 ARJ 0.8939
460 C53 0.8939
461 QKU 0.8939
462 EYV 0.8939
463 5GT 0.8938
464 15N 0.8937
465 E1T 0.8937
466 K80 0.8937
467 Z21 0.8937
468 FT6 0.8937
469 L3L 0.8936
470 1EL 0.8936
471 HWB 0.8935
472 5OR 0.8933
473 L03 0.8932
474 1A7 0.8932
475 JFS 0.8930
476 Q9T 0.8930
477 91F 0.8929
478 P80 0.8929
479 15Q 0.8929
480 SOJ 0.8929
481 N0Z 0.8928
482 8XL 0.8928
483 A63 0.8928
484 Q11 0.8928
485 WDW 0.8928
486 4XF 0.8928
487 11X 0.8927
488 1YO 0.8926
489 68A 0.8926
490 2GD 0.8925
491 BWD 0.8925
492 397 0.8925
493 4MB 0.8924
494 3WK 0.8924
495 0JD 0.8924
496 SGW 0.8923
497 DT7 0.8923
498 DBE 0.8921
499 HA6 0.8920
500 0OY 0.8920
501 JWS 0.8919
502 YZ9 0.8918
503 4BY 0.8918
504 EMU 0.8917
505 SSY 0.8917
506 GAT 0.8916
507 XIF XYP 0.8916
508 SKF 0.8916
509 MUX 0.8915
510 SNJ 0.8915
511 IWD 0.8914
512 D1G 0.8914
513 DNQ 0.8914
514 7AP 0.8913
515 72D 0.8913
516 RA7 0.8912
517 ADN 0.8911
518 92G 0.8910
519 F4K 0.8909
520 QUE 0.8909
521 4NP 0.8906
522 ZIP 0.8903
523 108 0.8901
524 3WO 0.8900
525 3WN 0.8900
526 SB7 0.8899
527 W29 0.8899
528 XYS XYS 0.8898
529 1ZC 0.8898
530 HC4 0.8897
531 EAJ 0.8897
532 NOC 0.8897
533 NPX 0.8896
534 P4T 0.8896
535 9FE 0.8896
536 BJ4 0.8895
537 F02 0.8894
538 DE7 0.8894
539 NQ7 0.8893
540 KLS 0.8893
541 KLV 0.8893
542 B41 0.8892
543 F5C 0.8892
544 EQU 0.8892
545 6J5 0.8892
546 QBP 0.8889
547 7MW 0.8889
548 O9Z 0.8887
549 5FD 0.8885
550 CUE 0.8884
551 2HC 0.8883
552 AWE 0.8882
553 18E 0.8881
554 7FU 0.8879
555 CX4 0.8878
556 S98 0.8878
557 AJG 0.8878
558 5SJ 0.8877
559 4R1 0.8877
560 0XR 0.8877
561 JVD 0.8876
562 OUA 0.8876
563 KCH 0.8875
564 CWD 0.8875
565 8HH 0.8875
566 K7H 0.8874
567 A4D 0.8873
568 6DE 0.8873
569 VGS 0.8872
570 OUG 0.8869
571 0FK 0.8869
572 3D3 0.8866
573 UN3 0.8865
574 GMP 0.8865
575 26C 0.8863
576 X6P 0.8862
577 GZV 0.8862
578 ZYQ 0.8861
579 CSN 0.8861
580 ENO 0.8861
581 6SD 0.8861
582 YTX 0.8860
583 8M5 0.8860
584 VFM 0.8859
585 C82 0.8858
586 TU0 0.8857
587 XTS 0.8856
588 MQS 0.8856
589 2FA 0.8856
590 5WT 0.8855
591 657 0.8852
592 BZC 0.8851
593 AZC 0.8851
594 EVO 0.8850
595 VXX 0.8850
596 5WW 0.8848
597 2UZ 0.8848
598 ZEZ 0.8848
599 S7D 0.8847
600 IA2 0.8847
601 92P 0.8847
602 SYE 0.8846
603 AUG 0.8846
604 AD3 0.8846
605 78U 0.8843
606 AC2 0.8843
607 08C 0.8843
608 7LU 0.8840
609 1UZ 0.8838
610 IYR 0.8837
611 2K8 0.8837
612 CKA 0.8832
613 S0E 0.8831
614 JTA 0.8831
615 MHB 0.8831
616 6JO 0.8829
617 ASE 0.8828
618 CIY 0.8828
619 HRD 0.8827
620 GB4 0.8826
621 IQ5 0.8824
622 P81 0.8824
623 STV 0.8824
624 WA1 0.8822
625 NTF 0.8821
626 NDD 0.8821
627 1EB 0.8820
628 NE1 0.8820
629 801 0.8819
630 ESI 0.8818
631 JHY 0.8817
632 9NB 0.8816
633 IAC 0.8816
634 CTE 0.8814
635 CPZ 0.8813
636 5N5 0.8813
637 4FP 0.8813
638 56N 0.8812
639 N9J 0.8811
640 697 0.8811
641 MSR 0.8810
642 LVD 0.8810
643 A5E 0.8810
644 DUR 0.8810
645 EST 0.8810
646 SQM 0.8809
647 FMQ 0.8808
648 90G 0.8807
649 4Z1 0.8807
650 5OO 0.8806
651 PNP 0.8806
652 M3E 0.8804
653 EN1 0.8803
654 AZY 0.8802
655 ELH 0.8802
656 51Y 0.8802
657 2QC 0.8800
658 041 0.8800
659 PCQ 0.8800
660 ET0 0.8799
661 5DE 0.8799
662 CR1 0.8798
663 H32 0.8797
664 2UV 0.8797
665 E1K 0.8796
666 SLS 0.8796
667 AH9 0.8795
668 GB5 0.8795
669 4K2 0.8795
670 1HN 0.8795
671 0F9 0.8792
672 JY4 0.8792
673 IDD 0.8792
674 LSQ 0.8791
675 PRH 0.8789
676 3ZB 0.8788
677 BRY 0.8788
678 2O6 0.8788
679 OQC 0.8787
680 0DN 0.8787
681 IMK 0.8787
682 AZM 0.8786
683 9KZ 0.8785
684 TB8 0.8784
685 3R4 0.8784
686 WA2 0.8784
687 0H5 0.8783
688 RUG 0.8783
689 HWH 0.8782
690 J3Z 0.8782
691 MZR 0.8779
692 GJP 0.8777
693 OCZ 0.8777
694 1F1 0.8776
695 RFZ 0.8774
696 RDV 0.8774
697 4NS 0.8774
698 CDY 0.8773
699 LO1 0.8773
700 EI1 0.8772
701 6GP 0.8771
702 TID 0.8771
703 DCF 0.8769
704 GHQ 0.8769
705 E9S 0.8768
706 UL1 0.8766
707 HBO 0.8765
708 5TT 0.8764
709 QMS 0.8764
710 LI4 0.8762
711 PPY 0.8762
712 0X2 0.8760
713 X04 0.8760
714 CXH 0.8760
715 D8Q 0.8759
716 AUE 0.8759
717 PMP 0.8759
718 2L1 0.8758
719 492 0.8758
720 7M2 0.8758
721 KYA 0.8757
722 BA5 0.8757
723 Q92 0.8756
724 HX4 0.8756
725 78P 0.8755
726 A 0.8754
727 SZ7 0.8753
728 CK2 0.8753
729 NPS 0.8753
730 KPV 0.8752
731 OPA 0.8752
732 37E 0.8752
733 BQ5 0.8751
734 1QV 0.8751
735 UKV 0.8751
736 TVC 0.8751
737 428 0.8749
738 0MB 0.8747
739 SJR 0.8746
740 IMH 0.8746
741 3AD 0.8745
742 P9I 0.8745
743 X0T 0.8744
744 DH2 0.8743
745 8HG 0.8743
746 Q5M 0.8742
747 B61 0.8742
748 B23 0.8742
749 HHS 0.8741
750 AJ1 0.8739
751 HQJ 0.8738
752 60L 0.8737
753 6JM 0.8737
754 4GP 0.8736
755 774 0.8736
756 2PW 0.8735
757 N2M 0.8734
758 4F8 0.8734
759 TH1 0.8733
760 0NJ 0.8733
761 1KN 0.8732
762 8NX 0.8732
763 B2T 0.8732
764 SQV 0.8731
765 14W 0.8730
766 BX4 0.8730
767 EUH 0.8729
768 HPP 0.8728
769 BSU 0.8728
770 YEX 0.8726
771 7R4 0.8726
772 RDT 0.8726
773 NXB 0.8726
774 AV4 0.8724
775 SRO 0.8723
776 X11 0.8722
777 IBP 0.8721
778 NOS 0.8720
779 ZYC 0.8720
780 SAK 0.8719
781 DK1 0.8718
782 ISC 0.8718
783 3QI 0.8718
784 ONR 0.8717
785 S62 0.8716
786 97K 0.8715
787 LJ2 0.8715
788 RCV 0.8714
789 1V8 0.8714
790 D1Y 0.8714
791 4EU 0.8714
792 1OT 0.8712
793 CMG 0.8711
794 5P7 0.8710
795 GXD 0.8708
796 0DJ 0.8706
797 DDU 0.8705
798 JB8 0.8704
799 6DH 0.8703
800 EUE 0.8701
801 BMZ 0.8701
802 XRS 0.8700
803 VFG 0.8699
804 4LW 0.8698
805 SNU 0.8697
806 6L6 0.8696
807 U12 0.8695
808 FMC 0.8695
809 8V8 0.8693
810 B1J 0.8693
811 OSY 0.8691
812 FSE 0.8691
813 LJ1 0.8690
814 1HR 0.8689
815 8NB 0.8686
816 3DT 0.8685
817 OTA 0.8685
818 BUX 0.8685
819 MBP 0.8684
820 ATX 0.8682
821 ID2 0.8681
822 M4E 0.8680
823 3Q0 0.8680
824 Q06 0.8680
825 F6P 0.8676
826 ZMG 0.8671
827 MAJ 0.8668
828 IS2 0.8667
829 19E 0.8665
830 OJD 0.8663
831 STL 0.8663
832 WS7 0.8663
833 HPR 0.8663
834 6VW 0.8661
835 1DA 0.8661
836 8HC 0.8660
837 G1L 0.8660
838 MPK 0.8660
839 120 0.8660
840 3BH 0.8658
841 KWV 0.8654
842 L15 0.8654
843 KXN 0.8652
844 7PJ 0.8651
845 JY2 0.8648
846 549 0.8644
847 IK1 0.8644
848 5RP 0.8644
849 7NU 0.8641
850 TIZ 0.8639
851 36Y 0.8639
852 DCZ 0.8638
853 124 0.8638
854 HFT 0.8637
855 JDN 0.8637
856 MCY 0.8636
857 ZEC 0.8634
858 5SD 0.8633
859 6J3 0.8632
860 A7H 0.8632
861 X2L 0.8631
862 MUR 0.8631
863 FTV 0.8628
864 2M7 0.8627
865 LLT 0.8626
866 1PS 0.8624
867 RAY 0.8621
868 UNJ 0.8620
869 GLP 0.8620
870 LRW 0.8619
871 TCC 0.8618
872 TVZ 0.8617
873 QC1 0.8616
874 79W 0.8614
875 PUR 0.8612
876 789 0.8611
877 NDG 0.8611
878 1Z6 0.8610
879 5ID 0.8609
880 MG7 0.8609
881 PJK 0.8609
882 M9N 0.8608
883 F1X 0.8608
884 TA6 0.8606
885 B86 0.8605
886 9GP 0.8604
887 K4V 0.8603
888 RF2 0.8602
889 LOT 0.8602
890 55D 0.8602
891 61M 0.8601
892 12T 0.8601
893 COL 0.8596
894 TXW 0.8595
895 0LA 0.8594
896 ASD 0.8592
897 THU 0.8590
898 AXX 0.8589
899 613 0.8589
900 GNJ 0.8588
901 CR4 0.8580
902 BHF 0.8576
903 3CX 0.8575
904 BSA 0.8574
905 U19 0.8574
906 EZL 0.8573
907 6ZE 0.8572
908 BGP 0.8569
909 MTA 0.8567
910 AOT 0.8565
911 S8G 0.8563
912 5O6 0.8563
913 5BX 0.8560
914 JA5 0.8559
915 JF1 0.8557
916 F16 0.8551
917 RDM 0.8549
918 GJB 0.8549
919 0F3 0.8549
920 SNV 0.8548
921 UN4 0.8547
922 H4E 0.8546
923 SSC 0.8544
924 6JP 0.8535
925 A8D 0.8529
926 338 0.8524
927 DHT 0.8523
928 SXX 0.8520
929 RPP 0.8520
930 AD6 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N70; Ligand: 2HX; Similar sites found with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 4n70.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 6AC9 ANP 22.8659
2 6YA7 ADP 22.8659
3 6JKM ADP 27.1341
4 6XX7 ANP 27.7778
5 4JR7 GNP 28.3422
6 6K3L 3NG 28.9941
7 4DC2 ADE 29.2683
8 4H3P ANP 29.5732
9 4H3P ANP 29.5732
10 5LPZ ADP 29.5732
11 3PTG 932 29.5732
12 6A1G 9OL 30.1829
13 5WNL STU 30.4878
14 5WNL STU 30.4878
15 5Y86 HRM 30.7927
16 7A22 QWW 30.7927
17 5X8I SQZ 31.0976
18 6P5S 3NG 31.4024
19 6FYV 3NG 31.4024
20 2JLD AG1 32.0122
21 2JLD AG1 32.0122
22 3M2W L8I 32.107
23 6VRF ADP 32.4415
24 6VRF ADP 32.4415
25 3V8S 0HD 32.622
26 6FYL 3NG 32.622
27 3V8S 0HD 32.622
28 3V8S 0HD 32.622
29 3V8S 0HD 32.622
30 3O0G 3O0 34.2466
31 1UNH IXM 34.2466
32 3GQI ACP 35.2761
33 3TXO 07U 35.3659
34 3TXO 07U 35.3659
35 3SRV S19 36.1011
36 3SRV S19 36.1011
37 4UX9 ANP 36.2805
38 4UX9 ANP 36.2805
39 4CFU 2WC 36.3036
40 4CFU 2WC 36.3036
41 6GUE FB8 36.4238
42 4BCQ TJF 36.5448
43 4BCM T7Z 36.5448
44 3BU5 ATP 36.6013
45 4BCN T9N 36.6667
46 4BCN T9N 36.6667
47 6LVK EVC 36.7412
48 6LVK EVC 36.7412
49 3GGF GVD 37.2093
50 3GGF GVD 37.2093
51 1PHK ATP 37.2483
52 2V7O DRN 37.5
53 6QF4 ADP 37.6147
54 5UPK ANP 37.8613
55 3PLS ANP 37.9195
56 3C0G 3AM 38.1098
57 6PJX SGV 38.7195
58 4NM5 ADP 38.7195
59 3DAK ANP 38.9655
60 3DAK ANP 38.9655
61 3DAK ANP 38.9655
62 4OTH DRN 39.3293
63 2PVF ACP 39.3293
64 1U59 STU 39.3728
65 4YZN 4K5 39.3728
66 3DLS ADP 41.1585
67 3DLS ADP 41.1585
68 3DLS ADP 41.1585
69 3DLS ADP 41.1585
70 3DLS ADP 41.1585
71 3DLS ADP 41.1585
72 3DLS ADP 41.1585
73 2YAB AMP 41.1585
74 2YAB AMP 41.1585
75 4BFM ANP 44.2073
76 4WNP 3RJ 45.2962
77 4WNP 3RJ 45.2962
78 5A6N U7E 45.583
APoc FAQ
Feedback