Receptor
PDB id Resolution Class Description Source Keywords
6UHZ 1.26 Å EC: 2.1.1.43 WDR5 IN COMPLEX WITH MYC SITE FRAGMENT INHIBITOR HOMO SAPIENS WDR5 MYC INHIBITOR COMPLEX TRANSCRIPTION
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
Q8D A:401;
B:401;
 Valid;
Valid;
 none;
none;
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245.277 C13 H15 N3 O2 c1cc2...
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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: Q8D; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 Q8D 1 1
2 Q8G 0.462687 0.840909
Similar Ligands (3D)
Ligand no: 1; Ligand: Q8D; Similar ligands found: 284
No: Ligand Similarity coefficient
1 LIG 0.9682
2 SNJ 0.9438
3 FCW 0.9338
4 II4 0.9326
5 40N 0.9306
6 AJ1 0.9298
7 0UL 0.9269
8 9JH 0.9262
9 HH6 0.9260
10 Q0K 0.9253
11 GJG 0.9251
12 1R5 0.9239
13 J1K 0.9234
14 6JO 0.9233
15 YZ9 0.9229
16 KP2 0.9228
17 E6Q 0.9223
18 DX2 0.9223
19 MKN 0.9219
20 D25 0.9216
21 EV2 0.9210
22 DBE 0.9209
23 6QT 0.9199
24 MS0 0.9195
25 CU8 0.9176
26 NIF 0.9175
27 IQW 0.9163
28 NPX 0.9161
29 4RV 0.9151
30 4NR 0.9147
31 4AU 0.9134
32 801 0.9123
33 4EU 0.9120
34 S0J 0.9116
35 RSV 0.9116
36 5KN 0.9112
37 NPS 0.9110
38 CHV 0.9106
39 KM2 0.9105
40 S45 0.9101
41 PFT 0.9097
42 CUT 0.9096
43 D64 0.9096
44 1V4 0.9092
45 U55 0.9091
46 108 0.9090
47 K4T 0.9087
48 3DE 0.9084
49 LZJ 0.9083
50 272 0.9082
51 6JM 0.9081
52 122 0.9081
53 CR4 0.9076
54 FX5 0.9074
55 J84 0.9069
56 1FE 0.9062
57 SNB 0.9061
58 L1T 0.9055
59 AUE 0.9055
60 0DF 0.9053
61 120 0.9052
62 AP6 0.9046
63 7FU 0.9043
64 1V3 0.9042
65 WDW 0.9031
66 2XY 0.9026
67 RF2 0.9011
68 LP8 0.9005
69 CUH 0.9004
70 AUG 0.9003
71 121 0.8997
72 6DE 0.8997
73 0SX 0.8987
74 7VF 0.8986
75 AED 0.8980
76 PV1 0.8978
77 92Y 0.8977
78 2GE 0.8976
79 CT0 0.8973
80 BZM 0.8970
81 BL7 0.8970
82 DDC 0.8969
83 LC1 0.8968
84 3WL 0.8966
85 7EL 0.8965
86 YE6 0.8963
87 BMZ 0.8954
88 90M 0.8947
89 6DH 0.8942
90 F40 0.8934
91 5DE 0.8932
92 DFV 0.8930
93 0OK 0.8929
94 7EH 0.8925
95 549 0.8924
96 EZL 0.8919
97 9AG 0.8913
98 DX7 0.8907
99 LZ4 0.8905
100 HBI 0.8903
101 K48 0.8899
102 54E 0.8899
103 22T 0.8894
104 EV3 0.8886
105 GNY 0.8884
106 3QI 0.8884
107 27M 0.8876
108 6DQ 0.8876
109 WLH 0.8869
110 7L4 0.8868
111 IQ5 0.8865
112 SJK 0.8864
113 CUQ 0.8860
114 J38 0.8859
115 5NR 0.8856
116 PIC 0.8855
117 A7Q 0.8855
118 8OB 0.8846
119 SU9 0.8845
120 JVD 0.8843
121 15Q 0.8840
122 6XC 0.8839
123 69W 0.8838
124 HWB 0.8834
125 FUJ 0.8832
126 4CN 0.8831
127 WV7 0.8830
128 2QU 0.8830
129 FT1 0.8829
130 WCU 0.8829
131 TCT 0.8828
132 BL4 0.8823
133 BIO 0.8820
134 D1G 0.8820
135 JOB 0.8818
136 MPU 0.8816
137 BIT 0.8815
138 CC6 0.8813
139 KXN 0.8812
140 AVA 0.8812
141 ZW2 0.8808
142 62D 0.8808
143 SZ5 0.8807
144 P4L 0.8806
145 LFQ 0.8806
146 2JX 0.8804
147 DCN 0.8798
148 4UE 0.8798
149 109 0.8794
150 F4U 0.8793
151 2GQ 0.8793
152 51Y 0.8791
153 K97 0.8791
154 FSE 0.8790
155 FZ0 0.8779
156 KMP 0.8777
157 25F 0.8776
158 8OE 0.8773
159 CX4 0.8772
160 A73 0.8772
161 20D 0.8771
162 1Q4 0.8768
163 QUE 0.8768
164 92O 0.8767
165 EUH 0.8767
166 57D 0.8762
167 M4N 0.8760
168 PZ8 0.8752
169 DFL 0.8751
170 PV2 0.8751
171 8CC 0.8749
172 ALA PHE 0.8748
173 35K 0.8748
174 5SB 0.8743
175 S62 0.8743
176 AD6 0.8743
177 TCL 0.8740
178 TCC 0.8740
179 J2N 0.8740
180 AJD 0.8739
181 W23 0.8734
182 GNR 0.8733
183 5F4 0.8732
184 1V1 0.8731
185 3XL 0.8728
186 3F4 0.8726
187 H2B 0.8725
188 8EQ 0.8725
189 7G1 0.8724
190 4L2 0.8722
191 49P 0.8722
192 TEF 0.8722
193 4AB 0.8721
194 3GX 0.8720
195 SVG 0.8719
196 NEO 0.8717
197 3RH 0.8717
198 J3B 0.8715
199 2L1 0.8713
200 RYJ 0.8711
201 4UM 0.8710
202 RDV 0.8710
203 MYU 0.8708
204 AUV 0.8707
205 GNV 0.8707
206 CWE 0.8704
207 657 0.8703
208 M78 0.8700
209 9XZ 0.8700
210 L5D 0.8692
211 FL8 0.8691
212 UN3 0.8691
213 EF2 0.8690
214 MW5 0.8689
215 EAA 0.8689
216 DXK 0.8686
217 LWS 0.8686
218 A9B 0.8684
219 S46 0.8683
220 JSX 0.8683
221 RGK 0.8682
222 1Q2 0.8682
223 VIB 0.8681
224 4I8 0.8680
225 7AP 0.8680
226 FB4 0.8680
227 9W7 0.8678
228 3C5 0.8677
229 B4L 0.8670
230 BHS 0.8669
231 TPM 0.8668
232 NYJ 0.8666
233 RYY 0.8657
234 HA6 0.8654
235 AXX 0.8653
236 NK5 0.8653
237 3UG 0.8653
238 D8X 0.8652
239 RFZ 0.8651
240 X6P 0.8650
241 AJ4 0.8650
242 LL1 0.8650
243 A8D 0.8644
244 K8W 0.8643
245 GNJ 0.8641
246 VFG 0.8639
247 DQH 0.8638
248 5NN 0.8636
249 VT3 0.8634
250 A8K 0.8633
251 QME 0.8631
252 C8O 0.8630
253 5XK 0.8629
254 NAR 0.8627
255 B61 0.8626
256 6WS 0.8623
257 RKN 0.8621
258 S1D 0.8621
259 38B 0.8620
260 5V7 0.8619
261 AGI 0.8619
262 L3L 0.8609
263 5TT 0.8609
264 PTR 0.8608
265 M2E 0.8606
266 SO7 0.8605
267 M3W 0.8602
268 OA4 0.8600
269 517 0.8595
270 7M5 0.8589
271 LVY 0.8580
272 VBC 0.8579
273 GAR 0.8575
274 OUA 0.8563
275 TYP 0.8557
276 XIF XYP 0.8557
277 MRI 0.8552
278 O9Q 0.8552
279 SOJ 0.8547
280 9UL 0.8540
281 C93 0.8538
282 BBP 0.8526
283 6JJ 0.8522
284 IQQ 0.8507
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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