Receptor
PDB id Resolution Class Description Source Keywords
6UHY 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
Q8G B:401;
A:401;
 Valid;
Valid;
 none;
none;
 submit data
244.289 C14 H16 N2 O2 c1cc2...
View in 3D viewer
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: Q8G; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 Q8G 1 1
2 Q8D 0.462687 0.840909
3 549 0.40625 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: Q8G; Similar ligands found: 382
No: Ligand Similarity coefficient
1 LIG 0.9646
2 CU8 0.9403
3 SNJ 0.9346
4 40N 0.9328
5 A05 0.9326
6 FCW 0.9321
7 KP2 0.9313
8 4RV 0.9289
9 AJ1 0.9278
10 6JO 0.9269
11 MS0 0.9260
12 0UL 0.9258
13 Q0K 0.9257
14 D25 0.9254
15 4EU 0.9247
16 II4 0.9228
17 DX2 0.9205
18 EV2 0.9204
19 6QT 0.9203
20 GJG 0.9199
21 0MB 0.9199
22 YZ9 0.9195
23 S45 0.9190
24 RSV 0.9187
25 4NR 0.9183
26 DBE 0.9177
27 CUT 0.9176
28 NIF 0.9169
29 QTD 0.9167
30 4AU 0.9155
31 CUE 0.9150
32 E6Q 0.9147
33 1V4 0.9143
34 272 0.9136
35 S0J 0.9136
36 CHV 0.9132
37 1V3 0.9129
38 5KN 0.9123
39 0OK 0.9114
40 109 0.9113
41 AP6 0.9110
42 L1T 0.9108
43 6JM 0.9108
44 PIQ 0.9105
45 AUE 0.9104
46 0DF 0.9096
47 1FE 0.9095
48 J1K 0.9095
49 IQW 0.9091
50 RF2 0.9087
51 801 0.9086
52 MKN 0.9080
53 NPX 0.9078
54 DDC 0.9075
55 D64 0.9072
56 U55 0.9068
57 122 0.9066
58 2XY 0.9063
59 J84 0.9061
60 22T 0.9058
61 KM2 0.9046
62 K4T 0.9046
63 LZJ 0.9039
64 D26 0.9037
65 LZ4 0.9027
66 124 0.9023
67 39R 0.9022
68 LP8 0.9021
69 7FU 0.9021
70 CR4 0.9020
71 PFT 0.9016
72 7EH 0.9014
73 NPS 0.9014
74 CUH 0.9011
75 RKN 0.9011
76 AJG 0.9008
77 GNY 0.9007
78 WDW 0.9003
79 3DE 0.9001
80 3WL 0.9000
81 120 0.8998
82 AED 0.8997
83 F40 0.8997
84 1HP 0.8991
85 121 0.8989
86 SER DNF 0.8988
87 DNF SER 0.8988
88 47X 0.8986
89 6DQ 0.8981
90 JOB 0.8981
91 7EL 0.8972
92 90G 0.8967
93 2OH 0.8961
94 KOM 0.8959
95 FX5 0.8956
96 A7Q 0.8955
97 AUG 0.8954
98 4CN 0.8954
99 SNB 0.8949
100 EUH 0.8948
101 7VF 0.8942
102 LC1 0.8941
103 90M 0.8939
104 YE6 0.8936
105 4AB 0.8935
106 0SX 0.8934
107 7L4 0.8931
108 2JX 0.8931
109 BMZ 0.8927
110 2GE 0.8927
111 HBI 0.8924
112 H2B 0.8924
113 DX7 0.8923
114 BL7 0.8920
115 TPM 0.8915
116 HH6 0.8915
117 4UE 0.8909
118 2L1 0.8908
119 51Y 0.8906
120 BZM 0.8899
121 6DE 0.8898
122 27M 0.8897
123 PV1 0.8894
124 EST 0.8893
125 69W 0.8892
126 KW7 0.8889
127 SJR 0.8887
128 EZL 0.8886
129 KXN 0.8883
130 CX4 0.8880
131 3QI 0.8877
132 3F4 0.8877
133 K48 0.8876
134 C8O 0.8875
135 F4U 0.8874
136 5DE 0.8873
137 1EB 0.8872
138 MPU 0.8869
139 92Y 0.8868
140 PIC 0.8864
141 S8P 0.8862
142 CUQ 0.8862
143 DFV 0.8861
144 LI7 0.8860
145 5NR 0.8860
146 BXZ 0.8860
147 20N 0.8859
148 SU9 0.8859
149 K97 0.8858
150 D1G 0.8856
151 BIO 0.8855
152 15Q 0.8854
153 FT1 0.8854
154 7AP 0.8853
155 9KZ 0.8851
156 WV7 0.8850
157 GNJ 0.8850
158 9XZ 0.8848
159 L02 0.8848
160 AWE 0.8845
161 WLH 0.8844
162 EI1 0.8843
163 AD6 0.8842
164 BIH 0.8838
165 K6N 0.8837
166 JVD 0.8836
167 9AG 0.8835
168 IQZ 0.8835
169 SZ5 0.8834
170 J38 0.8834
171 P4L 0.8834
172 22M 0.8832
173 6XC 0.8830
174 K7H 0.8828
175 GEN 0.8827
176 7M5 0.8826
177 DFL 0.8825
178 7M2 0.8825
179 2QV 0.8822
180 2OX 0.8821
181 SJK 0.8820
182 AJD 0.8815
183 27K 0.8815
184 25F 0.8814
185 H4B 0.8814
186 RYJ 0.8813
187 2QU 0.8813
188 5B2 0.8812
189 57D 0.8811
190 FSE 0.8811
191 FM2 0.8810
192 5SB 0.8808
193 NVS 0.8808
194 LF5 0.8806
195 5F8 0.8804
196 7G2 0.8804
197 FZ0 0.8801
198 IQ5 0.8800
199 KMP 0.8797
200 20D 0.8796
201 QUE 0.8793
202 S62 0.8791
203 BL4 0.8790
204 5TT 0.8789
205 EQU 0.8788
206 JMG 0.8786
207 8OB 0.8779
208 LFQ 0.8778
209 KLE 0.8777
210 JVB 0.8775
211 8OE 0.8775
212 8CC 0.8775
213 789 0.8774
214 2GQ 0.8772
215 GNR 0.8770
216 WCU 0.8768
217 MW5 0.8767
218 RGK 0.8765
219 39Z 0.8763
220 802 0.8762
221 GNV 0.8760
222 35K 0.8757
223 1V1 0.8756
224 TCC 0.8756
225 CX6 0.8755
226 AXX 0.8755
227 K8W 0.8755
228 HA6 0.8754
229 A73 0.8753
230 4I8 0.8752
231 NEO 0.8751
232 J3Z 0.8749
233 B61 0.8746
234 C4E 0.8746
235 92O 0.8745
236 205 0.8745
237 3GX 0.8744
238 KWV 0.8741
239 PZ8 0.8740
240 BIT 0.8739
241 PZX 0.8739
242 62D 0.8739
243 5FL 0.8736
244 AVA 0.8736
245 BHS 0.8736
246 EV3 0.8734
247 ALA PHE 0.8734
248 5V7 0.8733
249 NKI 0.8730
250 68B 0.8729
251 YE7 0.8729
252 UN3 0.8729
253 3C5 0.8727
254 657 0.8727
255 0OL 0.8726
256 52F 0.8724
257 PQM 0.8724
258 3JC 0.8722
259 49P 0.8719
260 LWS 0.8716
261 FB4 0.8715
262 FL8 0.8714
263 4AJ 0.8714
264 5F4 0.8712
265 9CE 0.8712
266 W23 0.8710
267 CC6 0.8709
268 OPA 0.8708
269 1Q4 0.8706
270 DQH 0.8706
271 A8K 0.8704
272 M2E 0.8704
273 3UG 0.8703
274 OTA 0.8703
275 6FG 0.8702
276 5NN 0.8702
277 RDV 0.8701
278 833 0.8701
279 M4N 0.8699
280 LVY 0.8699
281 6VW 0.8697
282 4L2 0.8694
283 EF2 0.8693
284 AJ4 0.8692
285 JBZ 0.8691
286 A9B 0.8689
287 TCL 0.8688
288 RFZ 0.8688
289 5TO 0.8688
290 1AJ 0.8686
291 38B 0.8685
292 4UM 0.8684
293 Q4G 0.8683
294 VUP 0.8683
295 5AD 0.8682
296 22L 0.8681
297 LJ5 0.8679
298 AUV 0.8679
299 TI7 0.8679
300 BPX 0.8679
301 IQQ 0.8678
302 E3U 0.8678
303 CSN 0.8677
304 BSU 0.8676
305 L5D 0.8676
306 TCT 0.8675
307 9W7 0.8674
308 WVV 0.8674
309 HUL 0.8674
310 G2V 0.8672
311 S46 0.8667
312 M78 0.8666
313 X6P 0.8664
314 KF5 0.8664
315 MI2 0.8663
316 ESZ 0.8656
317 JTA 0.8656
318 H75 0.8655
319 ECS 0.8655
320 8D6 0.8651
321 VT3 0.8648
322 MYU 0.8646
323 PV2 0.8645
324 C93 0.8637
325 QME 0.8636
326 LR2 0.8636
327 5XK 0.8634
328 ZW2 0.8633
329 5C1 0.8633
330 U7E 0.8631
331 OCZ 0.8629
332 TCR 0.8628
333 RZ0 0.8625
334 Z21 0.8624
335 9JT 0.8622
336 ZSP 0.8622
337 CT0 0.8621
338 HMZ 0.8620
339 HWB 0.8620
340 RYY 0.8619
341 47V 0.8618
342 TXW 0.8616
343 M3W 0.8616
344 NAR 0.8614
345 ZAR 0.8612
346 JF5 0.8612
347 6MD 0.8612
348 L3L 0.8610
349 KHP 0.8610
350 PTR 0.8609
351 9UL 0.8608
352 DXK 0.8606
353 DUR 0.8606
354 HNT 0.8603
355 ESL 0.8598
356 3RH 0.8594
357 CC5 0.8592
358 AGI 0.8592
359 N2Y 0.8584
360 VIB 0.8583
361 ZTW 0.8577
362 J2N 0.8573
363 O9Q 0.8573
364 H7S 0.8570
365 517 0.8560
366 17M 0.8557
367 0D1 0.8557
368 JSX 0.8557
369 6C5 0.8556
370 LTN 0.8556
371 6EL 0.8555
372 AT2 0.8550
373 521 0.8549
374 9FH 0.8545
375 COL 0.8540
376 3WJ 0.8538
377 AVX 0.8538
378 7KE 0.8527
379 AKD 0.8519
380 ET0 0.8519
381 0J4 0.8515
382 5GT 0.8509
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
APoc FAQ
Feedback