Receptor
PDB id Resolution Class Description Source Keywords
6DAI 1.63 Å EC: 2.1.1.43 DISCOVERY OF POTENT 2-ARYL-6,7-DIHYDRO-5HPYRROLO[ 1,2-A]IMID WDR5 WIN-SITE INHIBITORS USING FRAGMENT-BASED METHODS AND SB ASED DESIGN HOMO SAPIENS WDR5 WIN-SITE FRAGMENT SCREENING STRUCTURE-BASED DESIGN LINEAGE LEUKEMIA DNA BINDING PROTEIN DNA BINDING PROTEIN-COMPLEX
Ref.: DISCOVERY OF POTENT 2-ARYL-6,7-DIHYDRO-5 H-PYRROLO[ A]IMIDAZOLES AS WDR5-WIN-SITE INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN. J. MED. CHEM. V. 61 5623 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G2V A:504;
A:503;
 Valid;
Valid;
 none;
none;
 submit data
239.316 C15 H17 N3 CN1CC...
DMS A:502;
A:501;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
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: G2V; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 G2V 1 1
2 FZM 0.439394 0.772727
Similar Ligands (3D)
Ligand no: 1; Ligand: G2V; Similar ligands found: 518
No: Ligand Similarity coefficient
1 ZTW 0.9699
2 397 0.9618
3 7EH 0.9518
4 1R5 0.9511
5 4FC 0.9509
6 MR4 0.9507
7 EES 0.9467
8 245 0.9453
9 A9B 0.9440
10 MR5 0.9437
11 6BK 0.9430
12 S0D 0.9402
13 RGK 0.9392
14 5OR 0.9387
15 6H2 0.9380
16 97K 0.9368
17 08C 0.9363
18 WA1 0.9349
19 1V8 0.9346
20 1HP 0.9345
21 JCZ 0.9339
22 WG8 0.9334
23 4CN 0.9332
24 OLU 0.9315
25 DFL 0.9311
26 NKI 0.9310
27 7FZ 0.9304
28 20D 0.9300
29 D64 0.9299
30 U13 0.9299
31 3F4 0.9294
32 2P3 0.9287
33 7G0 0.9284
34 SZ5 0.9283
35 H75 0.9283
36 GEN 0.9283
37 BSU 0.9282
38 135 0.9281
39 27F 0.9280
40 72H 0.9279
41 0NJ 0.9278
42 STL 0.9276
43 P4T 0.9273
44 47X 0.9273
45 WLH 0.9270
46 A63 0.9266
47 BMZ 0.9266
48 68C 0.9265
49 1V0 0.9259
50 IDZ 0.9258
51 39R 0.9257
52 C4E 0.9257
53 9JT 0.9254
54 O53 0.9248
55 4ZF 0.9248
56 F36 0.9245
57 1Q4 0.9243
58 NAR 0.9239
59 1UR 0.9237
60 1UT 0.9236
61 120 0.9232
62 PIQ 0.9231
63 CR4 0.9228
64 LU2 0.9228
65 1V1 0.9224
66 SJR 0.9224
67 K0G 0.9222
68 XYP XYP 0.9219
69 6P3 0.9217
70 D26 0.9216
71 RF2 0.9213
72 PQM 0.9213
73 HPX 0.9210
74 25F 0.9210
75 801 0.9207
76 23M 0.9205
77 0UL 0.9202
78 124 0.9200
79 LR8 0.9196
80 122 0.9194
81 OSY 0.9194
82 FHV 0.9192
83 HMO 0.9189
84 5VU 0.9186
85 AZB 0.9184
86 246 0.9169
87 LR2 0.9164
88 A73 0.9163
89 ZRK 0.9161
90 F40 0.9160
91 AGI 0.9156
92 F18 0.9154
93 5WW 0.9151
94 LVY 0.9151
95 Z3R 0.9150
96 0SY 0.9150
97 5TU 0.9146
98 AP6 0.9145
99 121 0.9145
100 1UZ 0.9144
101 BMC 0.9138
102 A26 0.9138
103 789 0.9135
104 91F 0.9132
105 LJ1 0.9131
106 TID 0.9131
107 833 0.9129
108 OA4 0.9127
109 5EZ 0.9126
110 M3W 0.9124
111 613 0.9122
112 L2K 0.9121
113 D25 0.9119
114 UAY 0.9117
115 3K1 0.9117
116 MKN 0.9116
117 LC1 0.9115
118 EI1 0.9115
119 0DF 0.9114
120 P7V 0.9113
121 LI7 0.9112
122 RSV 0.9109
123 C0V 0.9106
124 QME 0.9104
125 7G2 0.9103
126 6DQ 0.9102
127 H2W 0.9100
128 XYS XYS 0.9100
129 U55 0.9094
130 CDJ 0.9093
131 FYR 0.9089
132 E9L 0.9088
133 E98 0.9087
134 IW3 0.9083
135 1EB 0.9082
136 5ZM 0.9081
137 TFX 0.9080
138 IW5 0.9074
139 EST 0.9073
140 5ER 0.9072
141 TEF 0.9072
142 8M5 0.9071
143 5XM 0.9071
144 AD6 0.9069
145 PIT 0.9068
146 4AU 0.9067
147 697 0.9065
148 7EL 0.9064
149 ZRL 0.9064
150 90G 0.9063
151 PQS 0.9063
152 68B 0.9063
153 WF4 0.9062
154 LJ2 0.9059
155 W8L 0.9059
156 AVX 0.9057
157 7L4 0.9056
158 06R 0.9053
159 CBE 0.9052
160 0MB 0.9048
161 0OK 0.9048
162 9EG 0.9047
163 7N8 0.9043
164 XAV 0.9043
165 E92 0.9042
166 VT3 0.9041
167 29F 0.9040
168 EQU 0.9040
169 O9T 0.9039
170 6FG 0.9039
171 LWA 0.9038
172 338 0.9037
173 A64 0.9036
174 3JC 0.9035
175 2JX 0.9032
176 6C8 0.9030
177 WDW 0.9029
178 1DR 0.9028
179 1V3 0.9028
180 O9Z 0.9026
181 907 0.9025
182 LIG 0.9021
183 KLS 0.9020
184 MR6 0.9020
185 5E5 0.9019
186 83D 0.9018
187 ESJ 0.9018
188 J3B 0.9015
189 GJG 0.9013
190 TVZ 0.9013
191 1Q2 0.9013
192 31F 0.9010
193 4P9 0.9010
194 72D 0.9006
195 M4N 0.9006
196 IIH 0.9002
197 38E 0.9002
198 272 0.9001
199 NVS 0.8999
200 205 0.8997
201 2QU 0.8997
202 A6W 0.8995
203 RE2 0.8994
204 CIU 0.8994
205 E6Q 0.8993
206 5B2 0.8993
207 W2E 0.8990
208 5TO 0.8990
209 1XS 0.8988
210 J84 0.8988
211 79X 0.8988
212 334 0.8987
213 OUG 0.8986
214 JCQ 0.8984
215 J2N 0.8983
216 4RG 0.8983
217 4YE 0.8983
218 2PK 0.8982
219 2PV 0.8982
220 1FL 0.8981
221 1Q1 0.8980
222 Y27 0.8979
223 CWE 0.8979
224 T5J 0.8979
225 M16 0.8977
226 3WL 0.8976
227 HWB 0.8975
228 IY5 0.8971
229 7LU 0.8971
230 IPJ 0.8970
231 HDI 0.8968
232 LUM 0.8968
233 HPK 0.8967
234 2ZI 0.8966
235 WCU 0.8964
236 47V 0.8962
237 A05 0.8959
238 802 0.8956
239 JMG 0.8956
240 Q2S 0.8955
241 9CE 0.8954
242 GN5 0.8949
243 3WK 0.8949
244 8V8 0.8948
245 NDD 0.8948
246 8CC 0.8948
247 3VQ 0.8946
248 AJ4 0.8946
249 U4J 0.8944
250 5NN 0.8943
251 3D8 0.8943
252 NAL 0.8941
253 QUE 0.8940
254 BVB 0.8940
255 N5B 0.8940
256 FCW 0.8939
257 57D 0.8938
258 BC5 0.8937
259 ZUF 0.8934
260 BX4 0.8933
261 BXS 0.8932
262 G1L 0.8932
263 J8D 0.8931
264 2OX 0.8931
265 2QV 0.8931
266 MBT 0.8930
267 1V4 0.8929
268 SDN 0.8928
269 IW4 0.8924
270 041 0.8922
271 4AF 0.8922
272 VC3 0.8918
273 22M 0.8916
274 5S9 0.8913
275 FJR 0.8912
276 2JP 0.8912
277 ZAR 0.8909
278 PRL 0.8904
279 YE6 0.8900
280 2Q0 0.8898
281 4UM 0.8892
282 BG8 0.8891
283 HH6 0.8890
284 KMP 0.8890
285 5SD 0.8886
286 6JP 0.8886
287 AT2 0.8883
288 CUE 0.8883
289 6VW 0.8879
290 8EC 0.8877
291 T21 0.8877
292 8E3 0.8876
293 KXN 0.8875
294 JVB 0.8875
295 BBP 0.8873
296 0XR 0.8873
297 6QT 0.8870
298 A9E 0.8870
299 0K7 0.8870
300 J1K 0.8870
301 ZZA 0.8868
302 MI2 0.8868
303 136 0.8866
304 JVD 0.8863
305 NXB 0.8863
306 DX2 0.8863
307 X2M 0.8863
308 196 0.8862
309 LZ4 0.8862
310 1FE 0.8861
311 Q92 0.8860
312 NNF 0.8858
313 3GX 0.8858
314 TVC 0.8854
315 0QA 0.8851
316 MHB 0.8849
317 DX8 0.8848
318 J3Z 0.8848
319 H0V 0.8848
320 9C8 0.8847
321 J2W 0.8847
322 SAK 0.8846
323 5CK 0.8844
324 4FF 0.8844
325 OUA 0.8843
326 HRD 0.8843
327 DFV 0.8841
328 6SD 0.8841
329 GJB 0.8841
330 ESE 0.8840
331 E8Z 0.8838
332 5H6 0.8837
333 AOY 0.8836
334 40N 0.8836
335 LJ5 0.8836
336 2PW 0.8834
337 X8I 0.8833
338 2UV 0.8832
339 HCC 0.8830
340 K97 0.8829
341 HAU 0.8827
342 A8D 0.8827
343 F5N 0.8827
344 BUX 0.8826
345 BU7 0.8826
346 28A 0.8824
347 NIF 0.8823
348 IEE 0.8822
349 EAT 0.8818
350 RDV 0.8818
351 4HB 0.8817
352 3VS 0.8815
353 3TI 0.8813
354 AX1 0.8811
355 JKN 0.8809
356 DZ3 0.8809
357 6WR 0.8808
358 2WU 0.8808
359 244 0.8807
360 HPZ 0.8806
361 HUL 0.8805
362 4DE 0.8801
363 KLE 0.8801
364 BRY 0.8801
365 NE2 0.8798
366 3CA 0.8795
367 FY8 0.8795
368 0DJ 0.8794
369 4KN 0.8794
370 JL7 0.8791
371 X2L 0.8791
372 6WU 0.8791
373 DH2 0.8789
374 II4 0.8788
375 NY4 0.8787
376 F08 0.8787
377 5M2 0.8786
378 H32 0.8785
379 20N 0.8784
380 AV6 0.8782
381 ZEA 0.8782
382 AO 0.8782
383 7ZO 0.8780
384 TH1 0.8775
385 P4L 0.8775
386 PJK 0.8774
387 4B8 0.8774
388 U12 0.8772
389 DQH 0.8772
390 YE7 0.8770
391 JF8 0.8767
392 AJ1 0.8764
393 TYP 0.8764
394 FSE 0.8761
395 FMH 0.8761
396 NU3 0.8760
397 6JM 0.8759
398 JSX 0.8759
399 S1D 0.8758
400 S0A 0.8758
401 0ON 0.8754
402 YZ9 0.8754
403 BUN 0.8752
404 4AJ 0.8752
405 ESR 0.8751
406 9NB 0.8751
407 FTK 0.8751
408 AJG 0.8750
409 PNW 0.8748
410 5DE 0.8747
411 MYC 0.8743
412 3MI 0.8742
413 ITE 0.8741
414 VGV 0.8740
415 4GU 0.8739
416 SGW 0.8739
417 4ZW 0.8739
418 T98 0.8738
419 18E 0.8738
420 KWV 0.8738
421 MT6 0.8734
422 22T 0.8733
423 NPZ 0.8732
424 EMU 0.8728
425 8E6 0.8728
426 TES 0.8726
427 U14 0.8724
428 L02 0.8723
429 K3T 0.8717
430 BJ4 0.8716
431 IMK 0.8715
432 2D2 0.8714
433 7FU 0.8714
434 KU1 0.8711
435 MYU 0.8710
436 123 0.8710
437 3CX 0.8710
438 BVS 0.8707
439 EBB 0.8706
440 5SJ 0.8706
441 94X 0.8702
442 35K 0.8697
443 OSJ 0.8697
444 NYJ 0.8697
445 6B5 0.8697
446 FBC 0.8695
447 IRH 0.8694
448 IDD 0.8693
449 0S0 0.8691
450 CMG 0.8691
451 PNJ 0.8689
452 2J1 0.8688
453 O9Q 0.8688
454 S98 0.8686
455 1OT 0.8681
456 S16 0.8681
457 6XR 0.8681
458 Q8G 0.8672
459 6FX 0.8669
460 92O 0.8669
461 3RL 0.8668
462 ERZ 0.8668
463 17M 0.8662
464 JMM 0.8661
465 NZ4 0.8659
466 BIH 0.8659
467 ENY 0.8657
468 JF5 0.8657
469 H35 0.8651
470 HTK 0.8645
471 LZ7 0.8645
472 MRE 0.8645
473 3Q0 0.8643
474 B7H 0.8642
475 ODK 0.8642
476 L43 0.8640
477 GHQ 0.8640
478 4BX 0.8639
479 AOM 0.8637
480 658 0.8637
481 6ZE 0.8633
482 1GV 0.8630
483 D59 0.8630
484 C0E 0.8628
485 5WK 0.8627
486 1SX 0.8620
487 J38 0.8619
488 QC1 0.8617
489 XZ1 0.8616
490 FJU 0.8616
491 OT4 0.8614
492 PCQ 0.8612
493 2L1 0.8605
494 EZL 0.8602
495 OQR 0.8600
496 5C1 0.8599
497 MRI 0.8597
498 ESL 0.8597
499 AU6 0.8595
500 109 0.8594
501 1UA 0.8591
502 AOB 0.8587
503 AV7 0.8579
504 5ET 0.8576
505 Q12 0.8572
506 55H 0.8572
507 4L2 0.8572
508 7FC 0.8567
509 J2Q 0.8565
510 RCV 0.8563
511 C1E 0.8562
512 5YA 0.8556
513 4BE 0.8553
514 4K2 0.8547
515 M28 0.8543
516 HFT 0.8538
517 AOI 0.8521
518 3G5 0.8517
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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