Receptor
PDB id Resolution Class Description Source Keywords
6UJH 1.49 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
DMS B:403;
B:405;
B:404;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
QBS B:401;
A:401;
 Valid;
Valid;
 none;
none;
 submit data
193.63 C10 H8 Cl N O CC(=O...
SO4 A:403;
A:402;
B:402;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
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: QBS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 QBS 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: QBS; Similar ligands found: 330
No: Ligand Similarity coefficient
1 SQ7 0.9476
2 HHH 0.9465
3 SQ4 0.9463
4 1Z6 0.9408
5 4VY 0.9320
6 9RW 0.9318
7 BPU 0.9302
8 X0W 0.9293
9 3CR 0.9249
10 B3U 0.9236
11 HNL 0.9218
12 SMN 0.9200
13 173 0.9197
14 RUY 0.9196
15 HNK 0.9191
16 4TU 0.9172
17 W29 0.9169
18 HDH 0.9146
19 8OZ 0.9138
20 344 0.9132
21 791 0.9130
22 HBO 0.9123
23 NCT 0.9106
24 SYV 0.9105
25 KTJ 0.9098
26 LNR 0.9094
27 DIN 0.9092
28 92G 0.9086
29 A7W 0.9085
30 GVG 0.9079
31 1KP 0.9076
32 E0O 0.9075
33 JG8 0.9070
34 S60 0.9068
35 6RQ 0.9066
36 KTW 0.9065
37 BGU 0.9058
38 VXX 0.9057
39 1A7 0.9055
40 BPY 0.9054
41 M1Z 0.9035
42 BZE 0.9034
43 ANC 0.9031
44 MRW 0.9028
45 3R4 0.9026
46 8W9 0.9023
47 ESI 0.9022
48 DTY 0.9010
49 3QV 0.9010
50 F2W 0.9004
51 2TU 0.9002
52 HC4 0.8996
53 M3E 0.8994
54 OTR 0.8985
55 BHO 0.8983
56 DNF 0.8981
57 MPK 0.8980
58 7ME 0.8974
59 KT7 0.8971
60 KJM 0.8971
61 ODO 0.8970
62 4MU 0.8967
63 23J 0.8961
64 TYR 0.8960
65 G12 0.8959
66 R2P 0.8954
67 A5H 0.8952
68 JF6 0.8952
69 MOK 0.8951
70 GZQ 0.8938
71 8WT 0.8936
72 APG 0.8935
73 PHE 0.8934
74 MS9 0.8930
75 JP2 0.8926
76 DPN 0.8924
77 A5E 0.8923
78 CFI 0.8923
79 8NX 0.8922
80 92K 0.8916
81 G3E 0.8915
82 I3E 0.8915
83 A9O 0.8914
84 CPZ 0.8911
85 X11 0.8910
86 BNL 0.8909
87 A9P 0.8909
88 2C0 0.8907
89 2FY 0.8907
90 FHC 0.8899
91 TYE 0.8898
92 36Y 0.8895
93 A29 0.8895
94 BQ5 0.8893
95 I5A 0.8892
96 9AP 0.8889
97 AC6 0.8885
98 50C 0.8882
99 6XI 0.8882
100 HFA 0.8882
101 HIS 0.8881
102 HQD 0.8881
103 3PF 0.8879
104 1WC 0.8878
105 4JQ 0.8877
106 FDR 0.8876
107 0W8 0.8874
108 NDH 0.8873
109 BTM 0.8871
110 XDE 0.8870
111 78Y 0.8870
112 LDR 0.8870
113 D48 0.8868
114 1DJ 0.8867
115 TYL 0.8867
116 X0U 0.8866
117 EN1 0.8865
118 NIZ 0.8865
119 URI 0.8864
120 XDK 0.8861
121 55D 0.8860
122 J6W 0.8860
123 68A 0.8853
124 HNM 0.8849
125 L5V 0.8844
126 VNL 0.8843
127 JND 0.8842
128 9FL 0.8840
129 NGO 0.8838
130 ENO 0.8837
131 JAH 0.8837
132 MSR 0.8833
133 PBZ 0.8832
134 NPO 0.8829
135 B21 0.8828
136 A09 0.8827
137 4WK 0.8827
138 97T 0.8827
139 HNH 0.8826
140 SAF 0.8822
141 7I2 0.8821
142 9LI 0.8821
143 GTC 0.8820
144 36M 0.8819
145 GRO 0.8817
146 SN4 0.8814
147 EXD 0.8814
148 6J9 0.8812
149 CTN 0.8812
150 ISA 0.8812
151 ISZ 0.8811
152 2QC 0.8809
153 DHK 0.8807
154 SXS 0.8807
155 TZF 0.8804
156 BP7 0.8802
157 LPK 0.8800
158 SKA 0.8799
159 9R5 0.8797
160 H4E 0.8795
161 HX4 0.8795
162 QUS 0.8795
163 ALE 0.8794
164 PHB 0.8793
165 VOH 0.8792
166 X48 0.8791
167 TGX 0.8790
168 Q02 0.8789
169 DAL DAL 0.8788
170 HA7 0.8786
171 EV3 0.8785
172 ES2 0.8784
173 E7S 0.8784
174 FIX 0.8784
175 F69 0.8781
176 5AE 0.8781
177 RMN 0.8780
178 OMD 0.8780
179 SNU 0.8779
180 4NC 0.8776
181 5QY 0.8772
182 R9Y 0.8770
183 93K 0.8768
184 L22 0.8768
185 DIR 0.8765
186 AKG 0.8764
187 256 0.8764
188 GDE 0.8763
189 5GU 0.8763
190 8WO 0.8761
191 94W 0.8758
192 B09 0.8757
193 CTD 0.8757
194 AEG 0.8757
195 F4K 0.8756
196 ANN 0.8755
197 46P 0.8752
198 AP4 0.8751
199 1XA 0.8750
200 KDG 0.8745
201 PH2 0.8744
202 UN1 0.8744
203 26C 0.8742
204 DHB 0.8742
205 PH3 0.8739
206 SKM 0.8739
207 49O 0.8737
208 XX2 0.8737
209 JGB 0.8736
210 AMQ 0.8736
211 GLU 0.8736
212 N7I 0.8731
213 FF3 0.8730
214 C1M 0.8729
215 DHY 0.8728
216 QX4 0.8725
217 6KT 0.8725
218 FTV 0.8724
219 HHS 0.8723
220 OCZ 0.8720
221 DUR 0.8719
222 F4E 0.8718
223 PIM 0.8716
224 F0J 0.8712
225 MPV 0.8709
226 URC 0.8708
227 9UL 0.8705
228 JR2 0.8703
229 MUK 0.8701
230 BZJ 0.8700
231 S2P 0.8697
232 GZ2 0.8696
233 HF2 0.8695
234 RNT 0.8695
235 3R6 0.8695
236 JRB 0.8691
237 CLZ 0.8691
238 GBN 0.8691
239 P72 0.8688
240 6ZX 0.8686
241 V55 0.8685
242 M0Q 0.8684
243 HRM 0.8682
244 4PN 0.8680
245 F12 0.8679
246 0XT 0.8678
247 E3X 0.8678
248 15N 0.8677
249 0HO 0.8676
250 TWO 0.8676
251 GVY 0.8671
252 LDP 0.8669
253 LOT 0.8667
254 SW7 0.8667
255 PDC 0.8665
256 AH9 0.8664
257 CFA 0.8663
258 INO 0.8661
259 5O6 0.8661
260 XBT 0.8660
261 PF1 0.8660
262 3BU 0.8660
263 KJU 0.8659
264 REL 0.8658
265 J9N 0.8656
266 8TX 0.8656
267 6FB 0.8655
268 UFV 0.8654
269 M2K 0.8653
270 F31 0.8650
271 SLC 0.8649
272 CTS 0.8648
273 8ZE 0.8646
274 PXL 0.8646
275 GLN 0.8646
276 67X 0.8642
277 SOR 0.8641
278 4YO 0.8640
279 535 0.8640
280 BCK 0.8639
281 HBD 0.8638
282 4LV 0.8637
283 DHC 0.8637
284 INE 0.8636
285 7WR 0.8636
286 5RN 0.8633
287 ZYQ 0.8633
288 1LQ 0.8632
289 ICO 0.8632
290 Q88 0.8630
291 FMQ 0.8629
292 4Z4 0.8626
293 M0W 0.8623
294 OGA 0.8623
295 TJM 0.8618
296 ESP 0.8613
297 AX3 0.8606
298 2KA 0.8604
299 7VS 0.8602
300 DCZ 0.8601
301 0HN 0.8599
302 DX3 0.8598
303 P58 0.8597
304 4HC 0.8596
305 IFP 0.8590
306 PJW 0.8587
307 YTX 0.8587
308 2IT 0.8585
309 6NI 0.8585
310 1A5 0.8584
311 1F1 0.8580
312 EDR 0.8577
313 0A1 0.8576
314 HLZ 0.8576
315 0JD 0.8574
316 86L 0.8573
317 4LW 0.8572
318 52C 0.8567
319 FEH 0.8562
320 N2I 0.8561
321 JAW 0.8556
322 FUD 0.8554
323 TVP 0.8554
324 069 0.8554
325 3QM 0.8542
326 MO8 0.8542
327 XQK 0.8538
328 1P8 0.8532
329 PAC 0.8530
330 HJ8 0.8516
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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