Receptor
PDB id Resolution Class Description Source Keywords
3VBX 2.03 Å EC: 2.7.1.37 EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROP ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHID ESIGN HOMO SAPIENS PIM1 TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: IMPLICATIONS OF PROMISCUOUS PIM-1 KINASE FRAGMENT I HYDROPHOBIC INTERACTIONS FOR FRAGMENT-BASED DRUG DE J.MED.CHEM. V. 55 2641 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0FO A:1;
 Valid;
 none;
 ic50 = 17 uM
241.038 C9 H5 Br O3 c1cc2...
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: 0FO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 0FO 1 1
2 QX4 0.5625 0.833333
3 4HC 0.44 0.862069
Similar Ligands (3D)
Ligand no: 1; Ligand: 0FO; Similar ligands found: 1107
No: Ligand Similarity coefficient
1 44W 1.0000
2 OTW 1.0000
3 XHP 1.0000
4 DQU 1.0000
5 MVN 1.0000
6 B62 0.9975
7 6ME 0.9958
8 44V 0.9913
9 PH2 0.9859
10 2FQ 0.9800
11 KUF 0.9787
12 HHR 0.9773
13 MUA 0.9769
14 0P6 0.9765
15 4JQ 0.9756
16 QBK 0.9755
17 0TU 0.9754
18 4YO 0.9754
19 CWS 0.9751
20 8CM 0.9741
21 MQN 0.9733
22 2AK 0.9730
23 AQO 0.9727
24 J9W 0.9719
25 PRF 0.9717
26 CLZ 0.9715
27 Q24 0.9715
28 PE0 0.9713
29 XAZ 0.9710
30 AJ2 0.9709
31 M5K 0.9704
32 MEW 0.9703
33 M6N 0.9701
34 M1Q 0.9700
35 BTY 0.9696
36 KT7 0.9686
37 8TX 0.9685
38 AJV 0.9682
39 URC 0.9680
40 AZ8 0.9666
41 3Z8 0.9652
42 B55 0.9651
43 MO8 0.9643
44 9R5 0.9640
45 75K 0.9637
46 N8Y 0.9627
47 2HQ 0.9621
48 5JL 0.9621
49 5JQ 0.9601
50 8IG 0.9594
51 APZ 0.9590
52 86J 0.9588
53 MAQ 0.9588
54 DRL 0.9586
55 FDR 0.9572
56 0N7 0.9571
57 20J 0.9559
58 B5D 0.9559
59 BEA 0.9557
60 INE 0.9554
61 HQD 0.9554
62 BGC 0.9551
63 15E 0.9541
64 Q71 0.9541
65 4Z4 0.9532
66 MRW 0.9529
67 COU 0.9520
68 AZ9 0.9517
69 6VD 0.9517
70 XQ0 0.9507
71 E7Z 0.9506
72 B60 0.9504
73 FBB 0.9501
74 OCH 0.9500
75 2K8 0.9499
76 4MU 0.9498
77 BPU 0.9494
78 PQ0 0.9489
79 TGX 0.9481
80 2D0 0.9480
81 3QV 0.9479
82 K2T 0.9479
83 DIN 0.9477
84 D07 0.9476
85 4TU 0.9472
86 2AQ 0.9467
87 NID 0.9462
88 92K 0.9461
89 G3E 0.9457
90 03V 0.9456
91 4M0 0.9451
92 FDB 0.9449
93 PYQ 0.9447
94 BHA 0.9447
95 RXA 0.9447
96 ES5 0.9441
97 DOB 0.9440
98 1SQ 0.9439
99 Q77 0.9439
100 9MG 0.9438
101 FA0 0.9437
102 UFO 0.9437
103 A7W 0.9436
104 5SG 0.9436
105 8WT 0.9436
106 5QY 0.9432
107 8WO 0.9431
108 SE2 0.9430
109 HHS 0.9430
110 4FS 0.9428
111 JB5 0.9428
112 1NP 0.9423
113 VK3 0.9421
114 NQ 0.9421
115 4YS 0.9420
116 7MU 0.9415
117 JBH 0.9415
118 GXY 0.9412
119 ES1 0.9412
120 5Q0 0.9410
121 5IQ 0.9410
122 H42 0.9407
123 3PF 0.9403
124 J5I 0.9402
125 CWM 0.9399
126 JPZ 0.9399
127 D48 0.9397
128 1LQ 0.9397
129 4ME 0.9397
130 9DG 0.9394
131 ZYR 0.9393
132 1LM 0.9393
133 HQY 0.9389
134 ZZZ 0.9389
135 ISN 0.9388
136 DX3 0.9387
137 N5J 0.9386
138 AJY 0.9384
139 7B4 0.9384
140 8NX 0.9383
141 36R 0.9378
142 O72 0.9378
143 DPZ 0.9376
144 2LY 0.9373
145 TOF 0.9372
146 ES0 0.9369
147 ET2 0.9365
148 1P7 0.9365
149 TWO 0.9365
150 JG8 0.9364
151 24W 0.9363
152 FE DB1 0.9359
153 39O 0.9358
154 HLZ 0.9357
155 KKN 0.9357
156 H5B 0.9356
157 5NU 0.9355
158 Q88 0.9355
159 5RO 0.9354
160 KJH 0.9353
161 NDM 0.9352
162 ROI 0.9352
163 DBH 0.9351
164 AZA 0.9351
165 5VM 0.9348
166 32X 0.9344
167 J9T 0.9344
168 3HA 0.9341
169 7W4 0.9341
170 3F0 0.9340
171 H33 0.9338
172 EA1 0.9336
173 5WV 0.9334
174 GUN 0.9334
175 2KA 0.9334
176 3M0 0.9333
177 FOT 0.9332
178 5CU 0.9331
179 CLW 0.9331
180 XAN 0.9331
181 ES7 0.9329
182 2EC 0.9327
183 7VS 0.9325
184 5QX 0.9323
185 TT4 0.9321
186 97T 0.9320
187 BDP 0.9320
188 IV2 0.9319
189 PEY 0.9318
190 344 0.9317
191 ES2 0.9315
192 0FK 0.9315
193 J9Q 0.9315
194 A29 0.9313
195 IJZ 0.9313
196 94W 0.9312
197 209 0.9312
198 GJP 0.9311
199 ADZ 0.9311
200 4XH 0.9311
201 C9E 0.9309
202 UNC 0.9309
203 12Q 0.9305
204 9KT 0.9302
205 IGA 0.9300
206 CH9 0.9300
207 1P8 0.9297
208 VXX 0.9297
209 MS9 0.9296
210 YH7 0.9296
211 B57 0.9295
212 7ME 0.9295
213 0W8 0.9295
214 N2I 0.9294
215 HH8 0.9293
216 7B3 0.9292
217 1HN 0.9292
218 2ZQ 0.9291
219 3ID 0.9289
220 HQT 0.9288
221 4RU 0.9288
222 I3A 0.9288
223 8HC 0.9286
224 5B1 0.9285
225 CFP 0.9283
226 7ZE 0.9283
227 7W1 0.9281
228 2AL 0.9281
229 LDR 0.9279
230 92P 0.9279
231 6RQ 0.9278
232 141 0.9277
233 QPR 0.9275
234 R8V 0.9274
235 0XT 0.9273
236 7HQ 0.9272
237 5WY 0.9270
238 LI6 0.9268
239 12T 0.9267
240 3IT 0.9265
241 C2Y 0.9264
242 KDV 0.9264
243 RM1 0.9264
244 1KP 0.9261
245 G3F 0.9261
246 TTL 0.9259
247 GLC 0.9255
248 Q6T 0.9253
249 A2F 0.9253
250 KJU 0.9253
251 42C 0.9252
252 6AP 0.9250
253 2A9 0.9250
254 DX4 0.9250
255 ORO 0.9250
256 ICO 0.9250
257 KJY 0.9249
258 Z5P 0.9248
259 8S0 0.9248
260 J6W 0.9246
261 2FY 0.9244
262 CWJ 0.9241
263 LT2 0.9240
264 290 0.9240
265 3WA 0.9239
266 9AP 0.9238
267 069 0.9238
268 KIB 0.9237
269 EN1 0.9236
270 GCS 0.9236
271 I6G 0.9235
272 GZ8 0.9235
273 4AA 0.9234
274 1XM 0.9234
275 5NE 0.9234
276 JBQ 0.9232
277 5RN 0.9232
278 AZG 0.9231
279 8W9 0.9229
280 GZL 0.9229
281 X8D 0.9228
282 HJP 0.9228
283 N0Z 0.9224
284 VNL 0.9221
285 3NY 0.9220
286 6NT 0.9220
287 9FL 0.9220
288 C2U 0.9220
289 4JT 0.9220
290 2ZM 0.9219
291 8ZE 0.9219
292 DMD 0.9216
293 8MO 0.9216
294 KIA 0.9215
295 1IT 0.9215
296 QAT 0.9214
297 B53 0.9212
298 9CA 0.9211
299 BOA 0.9210
300 CFF 0.9209
301 0HO 0.9207
302 SYV 0.9207
303 GM7 0.9206
304 AA 0.9206
305 DRG 0.9206
306 5NI 0.9205
307 6NI 0.9204
308 OXC 0.9203
309 G5V 0.9203
310 BZ3 0.9203
311 HH5 0.9203
312 0HN 0.9200
313 5OB 0.9200
314 ABI 0.9199
315 2BG 0.9199
316 GJS 0.9198
317 6GU 0.9198
318 PXL 0.9198
319 2HU 0.9197
320 AKH 0.9196
321 KYA 0.9196
322 F0J 0.9195
323 1M2 0.9194
324 GDE 0.9194
325 12B 0.9193
326 DHQ 0.9191
327 HHA 0.9190
328 HMH 0.9190
329 Q7A 0.9188
330 ESI 0.9187
331 SXS 0.9186
332 8H8 0.9183
333 FYU 0.9182
334 1F1 0.9181
335 1XN 0.9181
336 3A9 0.9181
337 DBJ 0.9180
338 V55 0.9179
339 34D 0.9177
340 BZJ 0.9174
341 HKD 0.9172
342 4M4 0.9172
343 ZVO 0.9171
344 14O 0.9171
345 5H1 0.9171
346 3DM 0.9171
347 JTH 0.9171
348 BCP 0.9170
349 JAE 0.9166
350 EV0 0.9166
351 L22 0.9163
352 F60 0.9161
353 VGD 0.9160
354 SKA 0.9160
355 ANF 0.9159
356 680 0.9158
357 5MI 0.9158
358 TIY 0.9157
359 7NI 0.9157
360 PXM 0.9155
361 AW5 0.9154
362 M1A 0.9154
363 E7S 0.9154
364 BK9 0.9153
365 UAN 0.9153
366 OVM 0.9152
367 BCU 0.9151
368 37T 0.9151
369 4V2 0.9150
370 ABV 0.9150
371 3MB 0.9150
372 QAS 0.9148
373 2K4 0.9146
374 VOH 0.9145
375 5XC 0.9145
376 67N 0.9144
377 CTL 0.9144
378 MT0 0.9144
379 NDH 0.9144
380 0JD 0.9144
381 LZM 0.9141
382 GVG 0.9141
383 G1O 0.9140
384 42A 0.9140
385 M2K 0.9137
386 BZX 0.9135
387 495 0.9133
388 R9Y 0.9132
389 6AI 0.9129
390 CTS 0.9129
391 PDC 0.9129
392 JU2 0.9127
393 ODO 0.9127
394 5MB 0.9126
395 1QP 0.9125
396 JDN 0.9124
397 B56 0.9122
398 TH7 0.9121
399 MWP 0.9120
400 HZQ 0.9120
401 XIY 0.9120
402 6BL 0.9118
403 M0Q 0.9118
404 JND 0.9118
405 4NC 0.9117
406 XX2 0.9117
407 KTW 0.9116
408 4A3 0.9115
409 GAL 0.9115
410 GHM 0.9113
411 15N 0.9112
412 UEG 0.9112
413 68A 0.9110
414 5RG 0.9110
415 0CU 0.9110
416 E1T 0.9109
417 GTQ 0.9108
418 NAG 0.9108
419 M0W 0.9105
420 3HM 0.9105
421 5M0 0.9105
422 54G 0.9104
423 MYJ 0.9103
424 3AB 0.9102
425 11S 0.9102
426 EQT 0.9101
427 173 0.9101
428 DOR 0.9101
429 2F6 0.9100
430 5NS 0.9098
431 2HO 0.9097
432 0F9 0.9096
433 8XL 0.9095
434 DNF 0.9094
435 JUG 0.9093
436 QUZ 0.9092
437 LSA 0.9092
438 SWA 0.9092
439 DHB 0.9090
440 5GU 0.9090
441 NOJ 0.9089
442 FHB 0.9088
443 E35 0.9088
444 INO 0.9087
445 GAB 0.9087
446 3HB 0.9087
447 93K 0.9085
448 TTY 0.9085
449 3NT 0.9082
450 V1T 0.9082
451 NPY 0.9082
452 TYL 0.9081
453 OVV 0.9081
454 OA3 0.9080
455 5HN 0.9080
456 0FN 0.9080
457 N7I 0.9080
458 DHK 0.9074
459 NNO 0.9072
460 M1H 0.9071
461 4VS 0.9071
462 WCE 0.9070
463 39A 0.9070
464 ES9 0.9070
465 PX7 0.9070
466 SX1 0.9068
467 DEE 0.9065
468 5MK 0.9064
469 0RW 0.9064
470 DIU 0.9063
471 D1X 0.9063
472 GNM 0.9062
473 JLZ 0.9062
474 27B 0.9061
475 M4E 0.9061
476 F2W 0.9060
477 2MI 0.9059
478 L5V 0.9057
479 FLV 0.9057
480 52C 0.9057
481 OW4 0.9056
482 X0W 0.9055
483 THA 0.9054
484 4KL 0.9051
485 IPB 0.9050
486 3BZ 0.9050
487 AN3 0.9049
488 NMJ 0.9048
489 NDG 0.9047
490 6KT 0.9044
491 P9P 0.9043
492 CK2 0.9043
493 F05 0.9041
494 H4N 0.9041
495 HBO 0.9040
496 9EW 0.9040
497 6M9 0.9040
498 226 0.9039
499 TEP 0.9039
500 HIS 0.9038
501 FK1 0.9035
502 6QF 0.9035
503 PJW 0.9035
504 BRT 0.9034
505 JXN 0.9034
506 SOE 0.9033
507 0W1 0.9032
508 PRZ 0.9030
509 JBK 0.9028
510 4CS 0.9028
511 HNQ 0.9027
512 CHB 0.9027
513 NSP 0.9025
514 9TW 0.9023
515 5WX 0.9023
516 GTR 0.9023
517 PHH 0.9021
518 G12 0.9020
519 7VJ 0.9020
520 3J8 0.9019
521 5VL 0.9018
522 KTJ 0.9017
523 AX7 0.9014
524 270 0.9014
525 HPA 0.9014
526 GCU 0.9012
527 SVN 0.9010
528 JYB 0.9008
529 AX3 0.9008
530 K37 0.9007
531 HQJ 0.9007
532 6M4 0.9006
533 FBG 0.9002
534 F31 0.9000
535 5TY 0.8999
536 F9Y 0.8998
537 LGC 0.8997
538 SKM 0.8997
539 EOL 0.8995
540 428 0.8995
541 OQC 0.8995
542 NTZ 0.8995
543 BHO 0.8994
544 8GC 0.8994
545 HLD 0.8993
546 LKA 0.8993
547 ZZT 0.8991
548 BTE 0.8991
549 SAL 0.8991
550 MR1 0.8991
551 YQA 0.8990
552 537 0.8989
553 W81 0.8987
554 EUG 0.8986
555 QSB 0.8986
556 JA8 0.8984
557 30G 0.8984
558 TSS 0.8983
559 ISZ 0.8982
560 HA5 0.8982
561 G6D 0.8982
562 1WG 0.8981
563 SRO 0.8980
564 A13 0.8980
565 X05 0.8980
566 ZZ8 0.8980
567 6CS 0.8980
568 FGZ 0.8977
569 EJZ 0.8977
570 2CK 0.8975
571 LZ2 0.8974
572 4BY 0.8973
573 NIZ 0.8973
574 9TZ 0.8973
575 SHG 0.8973
576 BPY 0.8970
577 H4E 0.8970
578 9ZE 0.8970
579 HDH 0.8968
580 K97 0.8968
581 EVA 0.8967
582 DNC 0.8966
583 8NY 0.8965
584 PZI 0.8965
585 7WR 0.8962
586 DNA 0.8961
587 SOR 0.8961
588 BZ2 0.8960
589 K5W 0.8960
590 1DW 0.8958
591 10L 0.8958
592 S76 0.8958
593 E5X 0.8958
594 ESP 0.8955
595 2H5 0.8953
596 K22 0.8952
597 JF2 0.8952
598 28N 0.8952
599 IWT 0.8951
600 8XQ 0.8951
601 ARP 0.8950
602 HA7 0.8950
603 PFB 0.8948
604 PNZ 0.8948
605 6TZ 0.8948
606 82I 0.8946
607 ADE 0.8945
608 NGA 0.8945
609 F12 0.8944
610 1A7 0.8942
611 APS 0.8941
612 HMU 0.8940
613 JAW 0.8939
614 4BL 0.8939
615 UNJ 0.8939
616 BE2 0.8939
617 24B 0.8938
618 FBU 0.8931
619 K32 0.8930
620 53C 0.8930
621 ANN 0.8929
622 X0U 0.8928
623 3U4 0.8928
624 WOO 0.8928
625 CFI 0.8927
626 GYE 0.8927
627 HNT 0.8927
628 18N 0.8923
629 64C 0.8923
630 XM0 0.8923
631 BSP 0.8922
632 JF1 0.8922
633 3FH 0.8921
634 ASC 0.8920
635 7WA 0.8920
636 3DO 0.8920
637 F4E 0.8919
638 25W 0.8919
639 M5N 0.8918
640 QWN 0.8917
641 2CQ 0.8915
642 ONR 0.8915
643 150 0.8914
644 PD2 0.8914
645 QX2 0.8913
646 4V6 0.8912
647 IHB 0.8911
648 F1A 0.8910
649 H7Y 0.8910
650 3ZB 0.8909
651 4SV 0.8909
652 XXR 0.8909
653 QWW 0.8906
654 HLR 0.8905
655 ES6 0.8905
656 ALL 0.8905
657 54X 0.8904
658 XYP 0.8904
659 JBE 0.8903
660 9DA 0.8902
661 JKE 0.8902
662 LDP 0.8902
663 ICB 0.8901
664 ASO 0.8901
665 I3E 0.8901
666 6F0 0.8899
667 RMN 0.8899
668 549 0.8898
669 5WU 0.8898
670 SHA 0.8898
671 PHU 0.8897
672 7WV 0.8897
673 9HX 0.8897
674 GRE 0.8897
675 4XV 0.8896
676 1WD 0.8896
677 3MG 0.8896
678 8OZ 0.8896
679 AHR 0.8894
680 A7H 0.8893
681 EYK 0.8892
682 MHK 0.8892
683 AP4 0.8891
684 ANC 0.8891
685 X09 0.8890
686 DBX 0.8890
687 NCT 0.8890
688 4I8 0.8890
689 7HP 0.8885
690 PHT 0.8884
691 M1Z 0.8883
692 EGR 0.8881
693 XQG 0.8881
694 X11 0.8881
695 NSG 0.8880
696 WSD 0.8879
697 9UL 0.8879
698 B2J 0.8879
699 6E8 0.8875
700 329 0.8875
701 DPT 0.8872
702 261 0.8871
703 CKA 0.8871
704 E1K 0.8871
705 2FG 0.8871
706 7MX 0.8870
707 JXW 0.8870
708 TC7 0.8869
709 QQQ 0.8869
710 3R6 0.8867
711 8G0 0.8865
712 SLS 0.8865
713 293 0.8864
714 IFP 0.8861
715 6MP 0.8860
716 4FA 0.8860
717 51R 0.8859
718 2ZV 0.8859
719 ES4 0.8858
720 PHB 0.8857
721 OVP 0.8856
722 NPO 0.8855
723 6M1 0.8855
724 FBM 0.8853
725 GCB 0.8851
726 YSO 0.8850
727 JR2 0.8850
728 ESX 0.8849
729 GCW 0.8848
730 K17 0.8848
731 F4Z 0.8847
732 4P5 0.8847
733 BA5 0.8846
734 MVL 0.8844
735 JP2 0.8841
736 HX3 0.8840
737 AY4 0.8840
738 F6P 0.8840
739 K6X 0.8839
740 091 0.8838
741 PM6 0.8837
742 QXW 0.8836
743 45C 0.8836
744 39U 0.8836
745 GIV 0.8836
746 3OC 0.8835
747 CN0 0.8832
748 3Z7 0.8832
749 174 0.8832
750 HHT 0.8832
751 GDL 0.8832
752 3GQ 0.8831
753 0GZ 0.8830
754 BP1 0.8830
755 APG 0.8830
756 NGT 0.8829
757 BGU 0.8829
758 NGW 0.8829
759 LNR 0.8828
760 F5B 0.8828
761 S60 0.8826
762 PHE 0.8826
763 J9N 0.8825
764 ZZ3 0.8825
765 XXP 0.8822
766 NVU 0.8821
767 4HM 0.8820
768 NGO 0.8820
769 XM5 0.8819
770 5LA 0.8818
771 3R4 0.8816
772 Z82 0.8816
773 FHC 0.8816
774 OW7 0.8814
775 PBA 0.8813
776 K82 0.8813
777 23A 0.8812
778 4ZA 0.8812
779 GV9 0.8811
780 GOG 0.8811
781 RAM 0.8811
782 149 0.8811
783 4XS 0.8808
784 5VJ 0.8808
785 K25 0.8807
786 NTM 0.8807
787 PAB 0.8807
788 GCV 0.8807
789 FBT 0.8806
790 EXO 0.8806
791 9FE 0.8805
792 4AN 0.8804
793 TBS 0.8800
794 M1E 0.8800
795 SWD 0.8799
796 FF2 0.8798
797 4NM 0.8798
798 GO8 0.8796
799 6X9 0.8795
800 6FB 0.8794
801 6OT 0.8794
802 GF4 0.8794
803 6FZ 0.8793
804 KOJ 0.8793
805 TPA 0.8793
806 TZF 0.8792
807 3VX 0.8792
808 X0V 0.8792
809 7FF 0.8791
810 2GS 0.8790
811 RPQ 0.8790
812 EXD 0.8788
813 AIN 0.8788
814 06B 0.8787
815 FP1 0.8786
816 K44 0.8785
817 PFL 0.8785
818 4BZ 0.8785
819 L99 0.8784
820 4XR 0.8784
821 61M 0.8781
822 XCZ 0.8780
823 BMA 0.8780
824 N3W 0.8779
825 FBW 0.8779
826 KGK 0.8779
827 EKZ 0.8778
828 J01 0.8778
829 1U6 0.8778
830 EMZ 0.8777
831 IFL 0.8777
832 KLW 0.8776
833 TXW 0.8774
834 NLA 0.8772
835 4MA 0.8771
836 4WL 0.8771
837 P72 0.8771
838 XDE 0.8770
839 JB8 0.8768
840 SW7 0.8767
841 KJ5 0.8766
842 1Y6 0.8765
843 L7T 0.8763
844 1GN 0.8762
845 HBD 0.8760
846 1Z6 0.8760
847 826 0.8760
848 A2G 0.8758
849 PBZ 0.8756
850 YRL 0.8753
851 TIU 0.8753
852 363 0.8752
853 SNU 0.8752
854 SG2 0.8752
855 UFV 0.8752
856 DGJ 0.8751
857 N91 0.8750
858 DIE 0.8749
859 GLA 0.8749
860 GOX 0.8748
861 GIO 0.8748
862 ADK 0.8747
863 3MA 0.8747
864 MBG 0.8747
865 JKZ 0.8746
866 67X 0.8746
867 SNO 0.8746
868 IAC 0.8746
869 M5H 0.8746
870 CPZ 0.8744
871 BPN 0.8742
872 2HC 0.8741
873 7VP 0.8740
874 MSR 0.8739
875 SJK 0.8738
876 8NB 0.8737
877 GO2 0.8737
878 G2F 0.8737
879 PYD 0.8736
880 7I2 0.8735
881 QIV 0.8735
882 R20 0.8733
883 OMD 0.8733
884 JBZ 0.8732
885 KMY 0.8732
886 GT0 0.8732
887 INS 0.8732
888 IBF 0.8731
889 NOY 0.8729
890 WS7 0.8726
891 64E 0.8724
892 4SX 0.8724
893 2O6 0.8721
894 VNJ 0.8721
895 ZWZ 0.8720
896 BHQ 0.8720
897 23J 0.8720
898 8GK 0.8720
899 3RK 0.8720
900 FSW 0.8720
901 LT8 0.8718
902 582 0.8718
903 RZH 0.8716
904 JTA 0.8715
905 KBG 0.8715
906 A5E 0.8715
907 259 0.8714
908 BBF 0.8713
909 FUD 0.8713
910 49O 0.8713
911 ADA 0.8712
912 MT5 0.8711
913 HFB 0.8711
914 1AL 0.8709
915 55D 0.8709
916 4NB 0.8709
917 RD4 0.8708
918 P92 0.8707
919 BCF 0.8704
920 CIY 0.8704
921 MPV 0.8700
922 AC6 0.8700
923 MS0 0.8698
924 MT8 0.8697
925 AEZ 0.8697
926 F9P 0.8696
927 L46 0.8696
928 OTD 0.8695
929 JFJ 0.8695
930 KW8 0.8694
931 GNV 0.8692
932 XYD 0.8691
933 45L 0.8690
934 1X7 0.8690
935 JZ2 0.8687
936 0BP 0.8686
937 4NO 0.8686
938 4ZC 0.8685
939 II6 0.8684
940 A65 0.8684
941 5UC 0.8683
942 TH0 0.8683
943 5MH 0.8683
944 LZB 0.8683
945 1MC 0.8679
946 4FH 0.8679
947 S0E 0.8677
948 K34 0.8674
949 BNL 0.8673
950 9LI 0.8672
951 GLT 0.8671
952 ICP 0.8671
953 SYR 0.8670
954 1WC 0.8669
955 LQ2 0.8668
956 MCT 0.8667
957 MAN 0.8667
958 HRM 0.8666
959 ZME 0.8666
960 MAJ 0.8664
961 DA4 0.8664
962 TDR 0.8663
963 PIY 0.8663
964 URF 0.8662
965 MNS 0.8661
966 TAG 0.8660
967 GIM 0.8660
968 HX4 0.8660
969 4JJ 0.8659
970 HTP 0.8659
971 BNT 0.8658
972 IUP 0.8658
973 SN4 0.8658
974 XBZ 0.8657
975 717 0.8657
976 DEN 0.8656
977 34A 0.8654
978 60Q 0.8654
979 IUR 0.8652
980 BBK 0.8652
981 CCV 0.8652
982 H62 0.8651
983 GLY PRO 0.8651
984 GAF 0.8650
985 ZEC 0.8649
986 IND 0.8648
987 4CL 0.8648
988 X6X 0.8647
989 RNO 0.8646
990 4JO 0.8645
991 DK1 0.8644
992 2MP 0.8644
993 4AB 0.8644
994 4VY 0.8642
995 42J 0.8639
996 2AC 0.8639
997 WBU 0.8638
998 SYA 0.8638
999 JIF 0.8638
1000 FBV 0.8637
1001 FAN 0.8637
1002 1XA 0.8637
1003 JFD 0.8636
1004 MZG 0.8635
1005 GOJ 0.8634
1006 4HO 0.8633
1007 4JP 0.8633
1008 H4B 0.8633
1009 HBI 0.8632
1010 H2B 0.8632
1011 MD6 0.8632
1012 43M 0.8631
1013 878 0.8631
1014 BZF 0.8630
1015 0LH 0.8630
1016 Q02 0.8630
1017 27Y 0.8629
1018 DQN 0.8629
1019 T6C 0.8629
1020 5CL 0.8626
1021 GSY 0.8626
1022 GTZ 0.8626
1023 2JK 0.8625
1024 BIO 0.8625
1025 7MK 0.8625
1026 MWJ 0.8623
1027 GVH 0.8621
1028 PIM 0.8620
1029 3Y7 0.8620
1030 UNU 0.8619
1031 BAM 0.8616
1032 F69 0.8616
1033 DHC 0.8615
1034 BEN 0.8614
1035 QBM 0.8614
1036 NCA 0.8613
1037 LAO 0.8613
1038 IF7 0.8611
1039 GXL 0.8611
1040 BEZ 0.8610
1041 BR9 0.8610
1042 PBC 0.8609
1043 R6T 0.8609
1044 1P3 0.8609
1045 BZI 0.8608
1046 IDM 0.8607
1047 DHR 0.8607
1048 PZA 0.8607
1049 NIO 0.8604
1050 6PC 0.8604
1051 MAG 0.8602
1052 NBZ 0.8601
1053 54Z 0.8601
1054 M3H 0.8600
1055 36E 0.8600
1056 MFZ 0.8598
1057 3SK 0.8597
1058 JZ3 0.8595
1059 0R0 0.8593
1060 AC2 0.8593
1061 NTN 0.8592
1062 QOS 0.8591
1063 SVD 0.8591
1064 5JC 0.8590
1065 PA1 0.8590
1066 QIC 0.8590
1067 86L 0.8588
1068 3XX 0.8585
1069 FB1 0.8585
1070 3BU 0.8583
1071 A1U 0.8583
1072 QUS 0.8582
1073 0FR 0.8581
1074 PCI 0.8577
1075 9PY 0.8574
1076 FUL 0.8574
1077 3TJ 0.8573
1078 BHS 0.8567
1079 D3G 0.8566
1080 ZYQ 0.8565
1081 FCR 0.8563
1082 O2A 0.8562
1083 TLD 0.8561
1084 3AL 0.8560
1085 AC0 0.8560
1086 ZSP 0.8560
1087 9RW 0.8559
1088 NDD 0.8556
1089 RHU 0.8551
1090 RUY 0.8551
1091 DMJ 0.8550
1092 VM1 0.8549
1093 N2M 0.8549
1094 2YU 0.8548
1095 SMN 0.8546
1096 7MH 0.8543
1097 MXX 0.8537
1098 UQ 0.8533
1099 505 0.8530
1100 PAC 0.8530
1101 QSH 0.8527
1102 AEF 0.8526
1103 TSU 0.8517
1104 M4S 0.8516
1105 SKF 0.8516
1106 OGA 0.8514
1107 QMS 0.8504
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
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