Receptor
PDB id Resolution Class Description Source Keywords
6PG3 2.04 Å EC: 2.1.1.43 WDR5DELTA23 BOUND TO (2-BUTYL-1H-IMIDAZOL-4-YL)METHANOL HOMO SAPIENS INHIBITOR SCAFFOLDING PROTEIN B-PROPELLOR CHROMATIN REGULPROTEIN BINDING PROTEIN BINDING-INHIBITOR COMPLEX
Ref.: FRAGMENT SCREENING FOR A PROTEIN-PROTEIN INTERACTIO INHIBITOR TO WDR5. STRUCT DYN. V. 6 64701 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OHJ B:401;
A:401;
 Valid;
Valid;
 none;
none;
 Kd = 480 uM
154.21 C8 H14 N2 O CCCCc...
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: OHJ; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 OHJ 1 1
2 OH7 0.55102 0.755102
3 OGY 0.541667 0.853659
4 OJM 0.510204 0.75
5 OJP 0.481481 0.7
6 OH4 0.454545 0.75
7 OH1 0.440678 0.7
8 OJJ 0.409091 0.6
9 OHG 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: OHJ; Similar ligands found: 382
No: Ligand Similarity coefficient
1 YPN 0.9491
2 SSB 0.9491
3 263 0.9469
4 BPW 0.9465
5 HC4 0.9431
6 NWH 0.9421
7 J6W 0.9398
8 TYR 0.9335
9 S0W 0.9322
10 NMH 0.9280
11 I3E 0.9264
12 PH3 0.9260
13 NFM 0.9253
14 1H1 0.9250
15 4FA 0.9249
16 N7I 0.9243
17 TYL 0.9239
18 YRL 0.9232
19 P80 0.9226
20 P81 0.9221
21 6ZX 0.9210
22 DVQ 0.9210
23 AEF 0.9204
24 RBJ 0.9199
25 HPP 0.9190
26 5O6 0.9190
27 F90 0.9186
28 Q9Z 0.9186
29 RJY 0.9179
30 SSC 0.9172
31 TYE 0.9169
32 4HP 0.9168
33 5OO 0.9154
34 8SZ 0.9151
35 LSQ 0.9148
36 258 0.9139
37 MUC 0.9138
38 BHH 0.9135
39 A7N 0.9134
40 BNF 0.9129
41 5LA 0.9122
42 FXY 0.9117
43 2FY 0.9110
44 PKU 0.9107
45 K82 0.9106
46 J9N 0.9106
47 ONH 0.9104
48 B3U 0.9101
49 268 0.9101
50 7MW 0.9100
51 4BF 0.9098
52 36M 0.9094
53 AHC 0.9093
54 80G 0.9091
55 HIC 0.9090
56 ENO 0.9088
57 ENW 0.9087
58 I2E 0.9086
59 AEG 0.9085
60 PPT 0.9083
61 7MU 0.9079
62 DI6 0.9076
63 GO2 0.9076
64 GT4 0.9075
65 NFZ 0.9073
66 OGA 0.9068
67 42J 0.9063
68 492 0.9061
69 DZA 0.9060
70 6N4 0.9058
71 6XA 0.9054
72 PZM 0.9050
73 TCA 0.9050
74 CFA 0.9047
75 TEG 0.9047
76 SNO 0.9044
77 A7H 0.9041
78 RNO 0.9035
79 S7S 0.9034
80 JFJ 0.9032
81 N4E 0.9029
82 OOG 0.9028
83 5XA 0.9026
84 264 0.9025
85 K4V 0.9024
86 A5E 0.9022
87 TAG 0.9022
88 LYS 0.9019
89 F4E 0.9018
90 8NB 0.9018
91 PBN 0.9017
92 4VY 0.9015
93 64Z 0.9014
94 LDP 0.9014
95 HCI 0.9014
96 DHC 0.9013
97 92G 0.9009
98 PJL 0.9009
99 QBM 0.9007
100 3OM 0.9004
101 PBA 0.9004
102 PRA 0.9004
103 5H6 0.9004
104 9R5 0.9001
105 N4B 0.9000
106 CWJ 0.9000
107 6KT 0.8997
108 HXY 0.8995
109 PFF 0.8994
110 GB4 0.8993
111 9NB 0.8993
112 DTY 0.8993
113 FUD 0.8990
114 HNE 0.8988
115 4FE 0.8988
116 CPZ 0.8986
117 DHY 0.8985
118 MSR 0.8983
119 7O4 0.8981
120 IXW 0.8980
121 HL4 0.8979
122 4BX 0.8977
123 PO6 0.8974
124 AKG 0.8974
125 ACA 0.8973
126 QUS 0.8969
127 GRQ 0.8968
128 M1T 0.8968
129 STX 0.8964
130 14W 0.8964
131 F4K 0.8963
132 GLO 0.8962
133 EYJ 0.8959
134 MLZ 0.8958
135 FER 0.8958
136 Z13 0.8954
137 TSS 0.8953
138 CIY 0.8953
139 AES 0.8951
140 EN1 0.8950
141 N9J 0.8948
142 9BF 0.8946
143 0NX 0.8943
144 GWM 0.8938
145 OTR 0.8938
146 3OL 0.8937
147 XCG 0.8935
148 SOL 0.8933
149 X1R 0.8933
150 GVY 0.8932
151 BHU 0.8929
152 88L 0.8928
153 NYL 0.8927
154 7BC 0.8927
155 2FX 0.8926
156 94W 0.8925
157 3EB 0.8922
158 650 0.8922
159 LT1 0.8922
160 LVD 0.8919
161 1QP 0.8918
162 NTU 0.8917
163 4CF 0.8915
164 DLY 0.8914
165 3H2 0.8913
166 NSD 0.8913
167 IOP 0.8913
168 PNZ 0.8912
169 XIZ 0.8911
170 GB5 0.8909
171 TYC 0.8909
172 SDD 0.8905
173 OCA 0.8904
174 HLP 0.8903
175 ISA 0.8898
176 MEQ 0.8898
177 CXH 0.8895
178 G14 0.8895
179 PNP 0.8893
180 SPD 0.8892
181 4JE 0.8891
182 PHI 0.8890
183 4I8 0.8890
184 SOR 0.8889
185 MP5 0.8888
186 PHE 0.8887
187 0A1 0.8884
188 ZYX 0.8884
189 2UB 0.8881
190 B41 0.8880
191 HDH 0.8879
192 B40 0.8877
193 EYV 0.8877
194 FK8 0.8876
195 ALE 0.8872
196 3C4 0.8871
197 DHR 0.8871
198 AE3 0.8871
199 YI6 0.8868
200 AMH 0.8867
201 ANN 0.8867
202 2QC 0.8864
203 AG2 0.8864
204 49F 0.8861
205 CUW 0.8860
206 AAN 0.8860
207 D10 0.8860
208 S24 0.8860
209 3W3 0.8859
210 KDG 0.8858
211 BL0 0.8857
212 UA5 0.8857
213 3W6 0.8854
214 4NS 0.8852
215 JA5 0.8851
216 I38 0.8849
217 PEA 0.8847
218 TB8 0.8846
219 4NP 0.8845
220 ARG 0.8844
221 TMG 0.8841
222 MS9 0.8841
223 VD9 0.8839
224 J0Z 0.8837
225 E4P 0.8835
226 BPN 0.8835
227 QH3 0.8834
228 GLY GLY GLY 0.8834
229 SLZ 0.8831
230 4NM 0.8830
231 1L5 0.8830
232 URO 0.8829
233 ZZA 0.8829
234 717 0.8825
235 271 0.8824
236 XYL 0.8824
237 OYA 0.8822
238 FOM 0.8822
239 B1J 0.8822
240 3W8 0.8820
241 3UF 0.8819
242 PEL 0.8818
243 HPL 0.8816
244 NIZ 0.8813
245 OC9 0.8811
246 A98 0.8809
247 7C3 0.8807
248 N91 0.8806
249 SQV 0.8804
250 KNA 0.8803
251 3VX 0.8800
252 SN4 0.8800
253 HPO 0.8800
254 9J3 0.8798
255 8YH 0.8797
256 GVA 0.8791
257 PPY 0.8789
258 RCV 0.8789
259 P7Y 0.8788
260 J4K 0.8786
261 27K 0.8784
262 VC3 0.8777
263 C82 0.8775
264 F06 0.8772
265 6Q3 0.8768
266 DAH 0.8768
267 4MB 0.8767
268 ODK 0.8766
269 AJ3 0.8764
270 N6C 0.8764
271 4AF 0.8762
272 K6V 0.8760
273 1EB 0.8760
274 3BU 0.8759
275 259 0.8758
276 XIY 0.8754
277 58X 0.8754
278 H4E 0.8753
279 B3M 0.8750
280 TZM 0.8750
281 CXP 0.8749
282 NF3 0.8748
283 DEW 0.8744
284 86L 0.8743
285 LNR 0.8739
286 269 0.8738
287 J1K 0.8736
288 ODO 0.8729
289 EQW 0.8727
290 JX7 0.8724
291 11C 0.8720
292 IYR 0.8719
293 2HC 0.8718
294 ATX 0.8716
295 1N5 0.8716
296 3YP 0.8713
297 2O8 0.8711
298 TJM 0.8707
299 GGG 0.8705
300 M28 0.8704
301 1FD 0.8703
302 B15 0.8701
303 R8S 0.8701
304 2BG 0.8701
305 4TB 0.8698
306 CLT 0.8696
307 1X4 0.8694
308 DLT 0.8692
309 DEZ 0.8691
310 7N8 0.8689
311 DPN 0.8687
312 OCT 0.8687
313 AHN 0.8686
314 AOS 0.8686
315 GGB 0.8685
316 JPQ 0.8684
317 REL 0.8682
318 I1E 0.8679
319 DIA 0.8677
320 K3D 0.8675
321 HWD 0.8672
322 9VQ 0.8672
323 YIE 0.8670
324 5RP 0.8670
325 LYN 0.8667
326 6C9 0.8667
327 LO1 0.8667
328 BQ2 0.8665
329 R9M 0.8664
330 NY4 0.8664
331 HNT 0.8660
332 DIR 0.8658
333 GOE 0.8658
334 AH8 0.8656
335 PG0 0.8652
336 LPK 0.8650
337 CEE 0.8642
338 011 0.8639
339 EUH 0.8639
340 RB5 0.8637
341 KMY 0.8635
342 DVK 0.8633
343 KQY 0.8631
344 ZZU 0.8627
345 6C5 0.8627
346 2EH 0.8621
347 RES 0.8612
348 JAH 0.8612
349 L4K 0.8612
350 S0D 0.8610
351 9YT 0.8609
352 PQZ 0.8609
353 LLH 0.8608
354 4FP 0.8605
355 L99 0.8602
356 F52 0.8602
357 E3X 0.8598
358 YOF 0.8598
359 5TO 0.8598
360 EE8 0.8595
361 61M 0.8592
362 6C4 0.8578
363 NGA 0.8577
364 EHM 0.8577
365 7FU 0.8576
366 R9G 0.8575
367 MED 0.8570
368 R52 0.8570
369 ILO 0.8566
370 N8C 0.8565
371 QME 0.8564
372 4LW 0.8561
373 LX1 0.8561
374 GLR 0.8557
375 DKA 0.8550
376 HMS 0.8548
377 CIR 0.8547
378 EXY 0.8547
379 1AE 0.8541
380 2FM 0.8537
381 1FE 0.8523
382 XRX 0.8513
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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