Receptor
PDB id Resolution Class Description Source Keywords
6UJL 1.6 Å EC: 2.1.1.43 DISCOVERY OF FRAGMENT-INSPIRED HETEROCYCLIC BENZENESULFONAMI INHIBITORS OF THE WDR5-MYC INTERACTION HOMO SAPIENS WDR5 MYC STRUCTURE-BASED DESIGN FRAGMENT SCREENING TRANS
Ref.: DISCOVERY OF WD REPEAT-CONTAINING PROTEIN 5 (WDR5)-INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTU DESIGN. J.MED.CHEM. V. 63 4315 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
QBM A:402;
A:401;
 Valid;
Valid;
 none;
none;
 submit data
185.247 C7 H11 N3 O S CCCSc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6UCS 1.85 Å EC: 2.1.1.43 DISCOVERY AND STRUCTURE-BASED OPTIMIZATION OF POTENT AND SEL WDR5 INHIBITORS CONTAINING A DIHYDROISOQUINOLINONE BICYCLIC HOMO SAPIENS WDR5 STRUCTURE-BASED DESIGN MIXED-LINEAGE LEUKEMIA TRANSC
Ref.: DISCOVERY AND STRUCTURE-BASED OPTIMIZATION OF POTEN SELECTIVE WD REPEAT DOMAIN 5 (WDR5) INHIBITORS CONT DIHYDROISOQUINOLINONE BICYCLIC CORE. J.MED.CHEM. V. 63 656 2020
Members (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
70% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QBM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 QBM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: QBM; Similar ligands found: 521
No: Ligand Similarity coefficient
1 YPN 0.9654
2 LDP 0.9637
3 42J 0.9564
4 DHY 0.9532
5 N7I 0.9506
6 XDE 0.9503
7 ALE 0.9503
8 DHC 0.9490
9 H7Y 0.9454
10 H4E 0.9447
11 J6W 0.9441
12 BPW 0.9418
13 CIY 0.9403
14 4HP 0.9389
15 LNR 0.9377
16 TYR 0.9357
17 BNF 0.9352
18 DAH 0.9346
19 AEF 0.9345
20 QH3 0.9343
21 DHR 0.9322
22 PPT 0.9322
23 HC4 0.9319
24 S0W 0.9313
25 F90 0.9307
26 8U3 0.9293
27 ASC 0.9292
28 PRA 0.9290
29 TYE 0.9289
30 4VY 0.9288
31 IOP 0.9281
32 RBJ 0.9277
33 HPP 0.9267
34 PH3 0.9265
35 YTX 0.9263
36 IYR 0.9256
37 264 0.9252
38 LSQ 0.9250
39 MMS 0.9238
40 R9Y 0.9236
41 NFM 0.9229
42 I2E 0.9226
43 EGR 0.9222
44 J9T 0.9217
45 PBN 0.9216
46 LVD 0.9213
47 B41 0.9203
48 L99 0.9196
49 TSS 0.9195
50 268 0.9191
51 CXH 0.9184
52 AHC 0.9173
53 S24 0.9168
54 HCI 0.9168
55 263 0.9164
56 AEG 0.9163
57 YOF 0.9163
58 AS3 0.9161
59 1DJ 0.9157
60 EOL 0.9153
61 P80 0.9148
62 AMR 0.9147
63 N8Y 0.9142
64 HL4 0.9142
65 258 0.9141
66 TRP 0.9140
67 D8Q 0.9139
68 SRO 0.9138
69 PHE 0.9135
70 HPT 0.9134
71 2FY 0.9133
72 LT1 0.9133
73 LYS 0.9127
74 GO2 0.9124
75 069 0.9124
76 36M 0.9124
77 TCA 0.9120
78 ABF 0.9120
79 4FA 0.9118
80 1QP 0.9117
81 269 0.9117
82 N2I 0.9114
83 2BG 0.9111
84 2LY 0.9099
85 NYL 0.9097
86 VXX 0.9097
87 2FX 0.9095
88 7MX 0.9094
89 6FZ 0.9093
90 B2J 0.9088
91 4SX 0.9085
92 HY1 0.9082
93 JND 0.9081
94 6Q3 0.9079
95 0LH 0.9078
96 PEA 0.9074
97 N4B 0.9072
98 FWD 0.9070
99 ESX 0.9069
100 7MU 0.9068
101 PEL 0.9068
102 URS 0.9068
103 F06 0.9059
104 8WT 0.9057
105 GO8 0.9057
106 KOJ 0.9055
107 3H2 0.9055
108 A7H 0.9054
109 OTR 0.9051
110 PBA 0.9048
111 JFJ 0.9044
112 AKG 0.9040
113 AEH 0.9038
114 2LP 0.9038
115 R9S 0.9032
116 AX3 0.9031
117 C9E 0.9031
118 TYC 0.9029
119 ICB 0.9026
120 6N4 0.9024
121 XQI 0.9024
122 15E 0.9023
123 QY9 0.9019
124 7C3 0.9016
125 EDR 0.9012
126 N9J 0.9011
127 61M 0.9008
128 K7M 0.9008
129 OHJ 0.9007
130 3C4 0.9006
131 NQH 0.9006
132 MR1 0.9006
133 XIZ 0.9002
134 NIZ 0.9000
135 IAC 0.8996
136 5XC 0.8995
137 APS 0.8995
138 N1E 0.8993
139 HDH 0.8992
140 93K 0.8991
141 F4E 0.8991
142 P81 0.8989
143 DI6 0.8989
144 BHO 0.8987
145 94W 0.8986
146 ENO 0.8985
147 FK8 0.8982
148 14W 0.8982
149 4BX 0.8982
150 INO 0.8981
151 3R6 0.8980
152 4YO 0.8980
153 EVF 0.8979
154 DHB 0.8978
155 LTN 0.8973
156 FF2 0.8972
157 MPP 0.8972
158 P7Y 0.8970
159 428 0.8970
160 3VX 0.8969
161 EV0 0.8966
162 CXP 0.8965
163 MAJ 0.8963
164 L22 0.8962
165 6HP 0.8961
166 3IB 0.8961
167 EMZ 0.8958
168 TYL 0.8956
169 1A7 0.8955
170 C2Y 0.8954
171 J0Z 0.8953
172 9ZE 0.8951
173 DEE 0.8951
174 TSR 0.8950
175 E35 0.8950
176 PH2 0.8950
177 B40 0.8948
178 A5E 0.8944
179 BWD 0.8944
180 6ZX 0.8942
181 O45 0.8942
182 F52 0.8942
183 5OB 0.8937
184 ISZ 0.8934
185 MS9 0.8929
186 OGA 0.8929
187 JYT 0.8928
188 MQB 0.8925
189 KTA 0.8925
190 3Z8 0.8922
191 8W9 0.8921
192 ANN 0.8920
193 BZ3 0.8919
194 EYV 0.8918
195 NFA 0.8918
196 IWD 0.8916
197 8NB 0.8914
198 NVU 0.8914
199 4NC 0.8909
200 2LT 0.8909
201 DTR 0.8907
202 CWJ 0.8906
203 2HO 0.8905
204 SKF 0.8904
205 JZ4 0.8904
206 2HQ 0.8904
207 HX3 0.8900
208 EQW 0.8900
209 4I8 0.8898
210 FAN 0.8898
211 MLZ 0.8894
212 M78 0.8893
213 I3E 0.8892
214 M5H 0.8890
215 SHA 0.8890
216 1L5 0.8890
217 ESI 0.8889
218 0HN 0.8888
219 BSX 0.8888
220 C82 0.8887
221 5OO 0.8884
222 ISD 0.8883
223 KTW 0.8881
224 TPA 0.8880
225 PO6 0.8879
226 UFO 0.8870
227 CFA 0.8866
228 AC2 0.8865
229 0HO 0.8865
230 1F1 0.8860
231 3LR 0.8860
232 BB4 0.8857
233 SLS 0.8856
234 ARP 0.8855
235 M3P 0.8855
236 4JQ 0.8855
237 EKZ 0.8854
238 9TW 0.8854
239 OOG 0.8854
240 YRL 0.8853
241 LYL 0.8852
242 RCV 0.8851
243 CFI 0.8850
244 JYW 0.8849
245 0QW 0.8848
246 GWM 0.8847
247 ESP 0.8846
248 57O 0.8846
249 6KT 0.8844
250 EN1 0.8843
251 0JD 0.8840
252 FP1 0.8840
253 QX4 0.8839
254 KDG 0.8839
255 505 0.8837
256 8HC 0.8837
257 0FK 0.8836
258 P58 0.8836
259 XXG 0.8835
260 DEW 0.8833
261 45L 0.8833
262 FIX 0.8831
263 2K8 0.8831
264 V1T 0.8830
265 XEN 0.8830
266 2HC 0.8830
267 XX2 0.8829
268 YF3 0.8828
269 3TC 0.8827
270 CWS 0.8827
271 MD6 0.8825
272 ZON 0.8825
273 4YZ 0.8824
274 VNL 0.8823
275 F9Y 0.8822
276 JTH 0.8819
277 HHR 0.8819
278 GJZ 0.8818
279 TZM 0.8816
280 3QM 0.8815
281 4HM 0.8814
282 8ZE 0.8812
283 JB8 0.8812
284 3A9 0.8810
285 DHK 0.8809
286 KUF 0.8809
287 GLO 0.8808
288 JDN 0.8807
289 NNO 0.8807
290 PRZ 0.8806
291 C9M 0.8806
292 KDV 0.8805
293 G6P 0.8803
294 JAW 0.8803
295 JXK 0.8803
296 K82 0.8801
297 BQ2 0.8801
298 FBM 0.8799
299 GLP 0.8798
300 RM1 0.8797
301 MP5 0.8796
302 MET 0.8793
303 BGP 0.8792
304 ODO 0.8790
305 28N 0.8789
306 9BF 0.8788
307 JLZ 0.8788
308 3HM 0.8787
309 X0V 0.8787
310 ZYC 0.8787
311 5WU 0.8786
312 4ZD 0.8781
313 9R5 0.8779
314 IHB 0.8779
315 4JM 0.8778
316 GDE 0.8778
317 HIS 0.8775
318 ETV 0.8774
319 44V 0.8773
320 9F8 0.8773
321 V55 0.8773
322 86J 0.8773
323 15N 0.8772
324 BGC 0.8772
325 4XV 0.8771
326 PRO GLY 0.8767
327 KJU 0.8767
328 L21 0.8766
329 9FE 0.8765
330 BDI 0.8765
331 3R4 0.8765
332 27K 0.8764
333 7PJ 0.8764
334 5GU 0.8763
335 IFP 0.8763
336 SOJ 0.8762
337 P9P 0.8762
338 4A3 0.8761
339 0XR 0.8760
340 B09 0.8759
341 4XS 0.8759
342 CHB 0.8758
343 M6H 0.8756
344 RQD 0.8756
345 SAF 0.8756
346 1BN 0.8756
347 NFZ 0.8752
348 F9P 0.8752
349 HA5 0.8751
350 5WN 0.8751
351 KF5 0.8747
352 AC6 0.8747
353 2A9 0.8742
354 FHB 0.8741
355 EUG 0.8740
356 DHS 0.8740
357 SG2 0.8740
358 B62 0.8740
359 9VQ 0.8739
360 PTU 0.8736
361 KMT 0.8735
362 EV3 0.8734
363 IOS 0.8732
364 NPA 0.8730
365 6ME 0.8730
366 3VW 0.8728
367 5NI 0.8728
368 PZI 0.8728
369 ICO 0.8727
370 O2A 0.8725
371 EYJ 0.8724
372 717 0.8724
373 8WO 0.8723
374 S8D 0.8721
375 CS2 0.8721
376 CIR 0.8720
377 ZYR 0.8719
378 KP6 0.8718
379 44W 0.8717
380 S7S 0.8717
381 3ZB 0.8716
382 QSB 0.8716
383 0P6 0.8716
384 NPO 0.8715
385 HMH 0.8715
386 261 0.8714
387 6NI 0.8711
388 0TU 0.8711
389 AHN 0.8710
390 JXW 0.8705
391 OVP 0.8705
392 8CM 0.8703
393 SKM 0.8703
394 68A 0.8703
395 PBZ 0.8702
396 4ME 0.8702
397 12T 0.8702
398 BHH 0.8701
399 S7G 0.8699
400 R9G 0.8699
401 HSO 0.8697
402 ZME 0.8695
403 EUH 0.8695
404 JA8 0.8694
405 ZIP 0.8691
406 1HR 0.8690
407 ZHA 0.8689
408 SYV 0.8688
409 2FQ 0.8686
410 DNF 0.8684
411 KYN 0.8684
412 SAN 0.8681
413 7OD 0.8678
414 F31 0.8676
415 GZL 0.8675
416 67Y 0.8674
417 0W1 0.8673
418 I1E 0.8672
419 4J8 0.8672
420 MQN 0.8671
421 LPK 0.8669
422 E4P 0.8669
423 ZZU 0.8667
424 LTT 0.8666
425 JF2 0.8666
426 CCV 0.8666
427 HBD 0.8663
428 92P 0.8663
429 4R1 0.8663
430 RJY 0.8662
431 8XL 0.8662
432 UN1 0.8660
433 4BY 0.8660
434 4FP 0.8659
435 GOJ 0.8657
436 BRH 0.8657
437 9FL 0.8654
438 VOH 0.8650
439 EUE 0.8650
440 ES2 0.8650
441 G4D 0.8648
442 HIC 0.8646
443 KYA 0.8645
444 RD4 0.8645
445 4OG 0.8645
446 54X 0.8644
447 DE5 0.8643
448 SYE 0.8642
449 BZ2 0.8640
450 CLU 0.8639
451 PRF 0.8638
452 1P7 0.8637
453 657 0.8634
454 FBS 0.8632
455 MYJ 0.8631
456 FGZ 0.8630
457 LT2 0.8629
458 28S 0.8628
459 PQ0 0.8628
460 MFZ 0.8628
461 2HU 0.8627
462 B5A 0.8626
463 J9Q 0.8625
464 QMS 0.8623
465 FHC 0.8618
466 HHS 0.8618
467 97T 0.8616
468 CUW 0.8616
469 30G 0.8615
470 0FO 0.8614
471 QSH 0.8613
472 AMS 0.8613
473 VGD 0.8613
474 1P8 0.8611
475 TSU 0.8611
476 53C 0.8607
477 MS0 0.8606
478 JYK 0.8604
479 BIO 0.8604
480 GCO 0.8604
481 23J 0.8603
482 YIE 0.8599
483 7MW 0.8595
484 JXT 0.8595
485 PD2 0.8591
486 H4B 0.8591
487 JFM 0.8589
488 XRS 0.8588
489 4M4 0.8588
490 E7Z 0.8587
491 PHB 0.8587
492 DIN 0.8585
493 5RO 0.8583
494 NBV 0.8581
495 DGJ 0.8580
496 MVN 0.8575
497 5MK 0.8573
498 DQU 0.8573
499 XFE 0.8571
500 HLP 0.8570
501 EGV 0.8569
502 P72 0.8568
503 XHP 0.8566
504 FBA 0.8565
505 AHL 0.8564
506 GIV 0.8563
507 AMQ 0.8562
508 2O6 0.8562
509 9CA 0.8561
510 P9E 0.8552
511 4VP 0.8550
512 PAB 0.8544
513 2D0 0.8543
514 3XH 0.8541
515 HBA 0.8536
516 ZZ3 0.8531
517 UFV 0.8528
518 SKA 0.8520
519 4P5 0.8517
520 HHH 0.8513
521 TCR 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6UCS; Ligand: Q41; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6ucs.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6UCS; Ligand: Q41; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6ucs.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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