Receptor
PDB id Resolution Class Description Source Keywords
6PG4 1.6 Å EC: 2.1.1.43 WDR5DELTA32 BOUND TO (2-METHYL-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
SO4 A:403;
A:402;
A:404;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
OHG A:401;
 Valid;
 none;
 Kd = 260 uM
112.13 C5 H8 N2 O Cc1[n...
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: OHG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OHG 1 1
2 OHJ 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: OHG; Similar ligands found: 842
No: Ligand Similarity coefficient
1 BP9 0.9847
2 7WG 0.9767
3 NVI 0.9755
4 BVC 0.9708
5 MZ0 0.9667
6 4JU 0.9652
7 LDU 0.9648
8 AMC 0.9640
9 SYN 0.9606
10 ABN 0.9603
11 NBE 0.9591
12 B24 0.9585
13 FW5 0.9582
14 PYJ 0.9580
15 14J 0.9580
16 1DH 0.9579
17 FPI 0.9574
18 HVQ 0.9549
19 25T 0.9548
20 4JL 0.9546
21 4VP 0.9539
22 BVG 0.9538
23 PYF 0.9537
24 PRI 0.9528
25 HBX 0.9523
26 9CL 0.9518
27 HGQ 0.9517
28 MZW 0.9509
29 PY7 0.9507
30 PXY 0.9504
31 4JN 0.9501
32 APY 0.9499
33 2MH 0.9498
34 HBA 0.9495
35 MRY 0.9492
36 1DU 0.9492
37 25R 0.9491
38 FBA 0.9490
39 282 0.9482
40 URA 0.9480
41 4CH 0.9479
42 2EZ 0.9479
43 4HS 0.9474
44 CEJ 0.9474
45 HYN 0.9469
46 BML 0.9467
47 HQE 0.9466
48 C2B 0.9455
49 LG4 0.9452
50 1MR 0.9450
51 6PC 0.9449
52 1AB 0.9447
53 FQI 0.9445
54 DTU 0.9444
55 26D 0.9444
56 R2B 0.9443
57 23W 0.9439
58 MLI 0.9438
59 C2A 0.9436
60 DA1 0.9434
61 HSM 0.9432
62 PCR 0.9426
63 MLA 0.9425
64 PCA 0.9422
65 CRS 0.9422
66 IOL 0.9415
67 4JM 0.9414
68 H3M 0.9412
69 47J 0.9409
70 1SP 0.9409
71 FPN 0.9408
72 EDG 0.9402
73 H8N 0.9400
74 E60 0.9396
75 PLQ 0.9394
76 XIX 0.9394
77 LER 0.9389
78 9X7 0.9387
79 RSO 0.9387
80 FPY 0.9385
81 BEN 0.9385
82 BAM 0.9385
83 HDA 0.9383
84 JZ7 0.9381
85 AHR 0.9380
86 PRO 0.9378
87 1MC 0.9373
88 24T 0.9366
89 JZ5 0.9364
90 P2D 0.9354
91 OAA 0.9354
92 C5J 0.9351
93 PHB 0.9350
94 GOL 0.9341
95 GXV 0.9341
96 PEA 0.9335
97 271 0.9334
98 BEZ 0.9333
99 9YL 0.9331
100 HX2 0.9330
101 SGL 0.9325
102 TZC 0.9321
103 69O 0.9319
104 DMG 0.9318
105 HSE 0.9318
106 DTL 0.9318
107 MLT 0.9317
108 HY1 0.9316
109 XRG 0.9306
110 PBC 0.9305
111 RIB 0.9304
112 PZA 0.9303
113 PIH 0.9301
114 JBN 0.9298
115 SS2 0.9297
116 NCA 0.9295
117 QSC 0.9294
118 R8A 0.9289
119 280 0.9289
120 FOA 0.9288
121 AC0 0.9288
122 DUC 0.9288
123 IHG 0.9288
124 FAN 0.9287
125 717 0.9284
126 ABU 0.9282
127 4HO 0.9278
128 UNU 0.9278
129 TZE 0.9278
130 284 0.9278
131 98J 0.9275
132 OXZ 0.9274
133 TFB 0.9270
134 Z6J 0.9269
135 NIO 0.9268
136 NTN 0.9266
137 VGL 0.9265
138 5AC 0.9265
139 GXE 0.9263
140 PYC 0.9261
141 IPH 0.9260
142 2KT 0.9260
143 285 0.9260
144 BNS 0.9258
145 HCS 0.9257
146 93B 0.9256
147 M6W 0.9255
148 HPY 0.9255
149 M2H 0.9254
150 51F 0.9252
151 RCO 0.9251
152 FBJ 0.9248
153 TDR 0.9248
154 1PT 0.9247
155 TH0 0.9246
156 PEL 0.9245
157 YCP 0.9244
158 LEA 0.9243
159 URF 0.9242
160 ICP 0.9234
161 PYD 0.9234
162 275 0.9234
163 IDH 0.9234
164 IFM 0.9233
165 3PY 0.9231
166 HHN 0.9230
167 HYP 0.9229
168 PZM 0.9226
169 HAI 0.9221
170 JZ2 0.9220
171 VKC 0.9218
172 Z82 0.9218
173 5MH 0.9217
174 40E 0.9216
175 XYD 0.9215
176 JZ1 0.9215
177 MCT 0.9214
178 BE7 0.9214
179 NBZ 0.9207
180 4CL 0.9206
181 2AC 0.9205
182 278 0.9204
183 CXF 0.9203
184 4JJ 0.9202
185 CXL 0.9201
186 CYH 0.9201
187 MEU 0.9197
188 MBN 0.9196
189 8CL 0.9196
190 5UC 0.9196
191 27Y 0.9194
192 MMU 0.9194
193 AC6 0.9194
194 0R0 0.9193
195 RSF 0.9193
196 GAB 0.9189
197 M58 0.9188
198 XBZ 0.9187
199 PKU 0.9186
200 WBU 0.9182
201 2K4 0.9182
202 4XR 0.9180
203 HIU 0.9179
204 HGW 0.9179
205 AAE 0.9178
206 BR9 0.9178
207 SMB 0.9176
208 1Y6 0.9176
209 HMH 0.9171
210 24B 0.9169
211 34A 0.9168
212 TTO 0.9168
213 NSP 0.9167
214 3NT 0.9166
215 1DV 0.9165
216 CEE 0.9165
217 KOJ 0.9164
218 F60 0.9162
219 23A 0.9159
220 2PC 0.9159
221 JZ3 0.9159
222 EGD 0.9158
223 4SD 0.9158
224 PRS 0.9158
225 3GR 0.9158
226 2MP 0.9158
227 286 0.9157
228 CRN 0.9155
229 GAG 0.9155
230 DPR 0.9155
231 4ZE 0.9155
232 265 0.9154
233 NK 0.9154
234 C21 0.9152
235 ROR 0.9152
236 LG3 0.9150
237 FYU 0.9150
238 174 0.9149
239 4AP 0.9149
240 JAB 0.9149
241 2IM 0.9149
242 5MI 0.9148
243 GIF 0.9148
244 ZZT 0.9148
245 8H8 0.9147
246 2YU 0.9146
247 WCE 0.9146
248 TP5 0.9145
249 3AP 0.9145
250 43M 0.9145
251 LGA 0.9145
252 SMV 0.9144
253 MWM 0.9143
254 14O 0.9142
255 4MA 0.9142
256 5H1 0.9142
257 4JO 0.9140
258 HUI 0.9140
259 IT2 0.9140
260 NVA 0.9139
261 DGY 0.9139
262 03W 0.9139
263 BVF 0.9138
264 BUA 0.9137
265 11S 0.9136
266 MWJ 0.9136
267 DEN 0.9135
268 3CH 0.9135
269 2DR 0.9134
270 IXW 0.9134
271 WOT 0.9133
272 SS1 0.9133
273 CYS 0.9133
274 A1U 0.9132
275 BAL 0.9131
276 OKG 0.9131
277 MLM 0.9130
278 PBZ 0.9129
279 2AP 0.9129
280 SNE 0.9128
281 SW7 0.9128
282 LMR 0.9127
283 AGK 0.9126
284 A2Q 0.9125
285 Y8I 0.9124
286 PAB 0.9123
287 826 0.9122
288 HVK 0.9122
289 UGC 0.9122
290 HBD 0.9122
291 L60 0.9121
292 JFJ 0.9121
293 DFB 0.9121
294 TEO 0.9118
295 IMR 0.9117
296 DSN 0.9116
297 NPO 0.9115
298 XYL 0.9114
299 RB5 0.9114
300 5MB 0.9112
301 CYT 0.9111
302 4XX 0.9111
303 8GC 0.9111
304 HMU 0.9111
305 4FA 0.9108
306 HEW 0.9106
307 4CS 0.9104
308 53C 0.9104
309 AX7 0.9104
310 270 0.9103
311 HX3 0.9103
312 2MI 0.9101
313 MUC 0.9101
314 54D 0.9100
315 FK1 0.9100
316 RBL 0.9100
317 34V 0.9099
318 AZF 0.9098
319 H4N 0.9097
320 273 0.9095
321 5JC 0.9095
322 B3R 0.9094
323 BZX 0.9094
324 IUR 0.9093
325 TMZ 0.9092
326 ABA 0.9090
327 6AI 0.9090
328 V1L 0.9089
329 DTT 0.9089
330 OVV 0.9088
331 HT4 0.9087
332 P92 0.9087
333 4H2 0.9087
334 F81 0.9086
335 5HN 0.9086
336 TMT 0.9086
337 R1X 0.9086
338 J1Z 0.9085
339 SAR 0.9085
340 3XX 0.9085
341 NMJ 0.9084
342 8GF 0.9084
343 TH7 0.9084
344 KG7 0.9082
345 HRZ 0.9079
346 9PO 0.9078
347 ASP 0.9077
348 3AB 0.9076
349 ES9 0.9075
350 TLD 0.9075
351 PZI 0.9073
352 3OC 0.9073
353 FUM 0.9072
354 SIN 0.9072
355 ABV 0.9070
356 DAS 0.9068
357 3HB 0.9068
358 2LP 0.9067
359 LG5 0.9066
360 3HL 0.9066
361 2RH 0.9065
362 JZ4 0.9065
363 M3T 0.9064
364 OK7 0.9063
365 HE2 0.9062
366 C2N 0.9060
367 CIG 0.9059
368 ASN 0.9058
369 IDM 0.9058
370 UY7 0.9054
371 IQ0 0.9054
372 2XX 0.9054
373 HY3 0.9054
374 TM7 0.9054
375 BSX 0.9054
376 2HA 0.9053
377 CP 0.9052
378 ISZ 0.9051
379 ALO 0.9050
380 PYZ 0.9050
381 BU4 0.9049
382 FP1 0.9047
383 DCY 0.9045
384 8NY 0.9039
385 NMG 0.9039
386 FUB 0.9038
387 4P5 0.9037
388 HHQ 0.9037
389 BYZ 0.9036
390 QDK 0.9035
391 COI 0.9035
392 LZ1 0.9033
393 BRT 0.9028
394 HTX 0.9027
395 2A9 0.9026
396 IND 0.9025
397 7N0 0.9025
398 DE2 0.9023
399 PUT 0.9023
400 261 0.9022
401 MZY 0.9021
402 JZ6 0.9021
403 ES3 0.9020
404 SER 0.9020
405 1LN 0.9017
406 GVH 0.9017
407 BXO 0.9016
408 THE 0.9016
409 TPA 0.9015
410 0R1 0.9012
411 LEU 0.9011
412 1DQ 0.9011
413 SRT 0.9010
414 3BZ 0.9009
415 HIO 0.9007
416 VNJ 0.9007
417 BE2 0.9007
418 49F 0.9006
419 PAE 0.9005
420 IP0 0.9001
421 OXQ 0.9001
422 4JP 0.9001
423 2AL 0.8999
424 ORN 0.8998
425 1P3 0.8997
426 7EX 0.8996
427 FEH 0.8996
428 BZI 0.8996
429 5KX 0.8995
430 ITN 0.8995
431 XM0 0.8995
432 RBJ 0.8994
433 BZF 0.8994
434 3OH 0.8994
435 XBT 0.8994
436 XUL 0.8992
437 XAP 0.8992
438 YRL 0.8989
439 BMD 0.8989
440 XLS 0.8988
441 0CT 0.8988
442 JZ9 0.8987
443 CHT 0.8987
444 T2C 0.8983
445 IZC 0.8982
446 60P 0.8980
447 BAQ 0.8980
448 EHM 0.8978
449 ICF 0.8975
450 SSN 0.8972
451 DYA 0.8971
452 ILE 0.8970
453 MRZ 0.8970
454 NXA 0.8970
455 IVA 0.8969
456 4MZ 0.8967
457 LCN 0.8966
458 39J 0.8964
459 K2T 0.8960
460 TLA 0.8960
461 AKB 0.8959
462 ZBT 0.8956
463 TZL 0.8956
464 CFI 0.8956
465 VAH 0.8955
466 KIV 0.8953
467 THR 0.8952
468 5NU 0.8952
469 MPI 0.8951
470 JAE 0.8951
471 E5X 0.8950
472 MTG 0.8950
473 DGJ 0.8949
474 MB3 0.8948
475 MAE 0.8948
476 3V4 0.8948
477 5MP 0.8947
478 2MZ 0.8947
479 QY9 0.8945
480 GBL 0.8944
481 4NC 0.8942
482 SAL 0.8941
483 1SA 0.8941
484 NIZ 0.8940
485 GLL 0.8940
486 BHO 0.8937
487 4WL 0.8935
488 PHU 0.8935
489 A8C 0.8935
490 ET2 0.8934
491 8K2 0.8934
492 A3B 0.8933
493 ITU 0.8932
494 H76 0.8929
495 MAK 0.8929
496 CSS 0.8929
497 PG3 0.8928
498 AHB 0.8928
499 5VM 0.8927
500 ES6 0.8926
501 ES2 0.8926
502 CLW 0.8926
503 1MZ 0.8924
504 1P8 0.8924
505 RUU 0.8924
506 NLE 0.8924
507 GBD 0.8923
508 MMZ 0.8921
509 36R 0.8916
510 3MT 0.8916
511 6SP 0.8914
512 5CU 0.8913
513 SLP 0.8913
514 7MU 0.8912
515 DCL 0.8912
516 1CB 0.8911
517 MZG 0.8911
518 YHO 0.8911
519 1DW 0.8910
520 ATQ 0.8910
521 2CK 0.8910
522 VGD 0.8908
523 URP 0.8906
524 AEF 0.8905
525 XIY 0.8904
526 3U4 0.8904
527 3ZQ 0.8903
528 FBB 0.8903
529 3TR 0.8898
530 HTS 0.8897
531 1DJ 0.8897
532 GLY ALA 0.8896
533 PRY 0.8895
534 FBM 0.8894
535 3BB 0.8893
536 IF7 0.8892
537 4HA 0.8891
538 MR3 0.8891
539 PAC 0.8891
540 NBN 0.8890
541 4ZA 0.8889
542 NOY 0.8889
543 0RW 0.8888
544 ECE 0.8888
545 3SK 0.8887
546 ZZ3 0.8886
547 DBB 0.8885
548 AL0 0.8885
549 BTL 0.8884
550 CMS 0.8884
551 INO 0.8883
552 SN4 0.8883
553 IPB 0.8879
554 P3K 0.8878
555 P72 0.8877
556 NNO 0.8876
557 DXX 0.8875
558 G2F 0.8873
559 I1E 0.8873
560 XYS 0.8872
561 DHR 0.8869
562 GLY GLY 0.8868
563 D2P 0.8867
564 3AL 0.8865
565 XYP 0.8865
566 2CH 0.8864
567 4M0 0.8863
568 6X8 0.8862
569 ANN 0.8861
570 MXN 0.8861
571 PMB 0.8860
572 PYG 0.8860
573 HOW 0.8859
574 FA0 0.8859
575 XQ0 0.8858
576 QUZ 0.8858
577 BUB 0.8857
578 JKE 0.8857
579 F05 0.8857
580 PNZ 0.8856
581 ETX 0.8855
582 3DM 0.8854
583 AKG 0.8852
584 TB6 0.8851
585 NOJ 0.8850
586 DIE 0.8848
587 3SL 0.8848
588 M4T 0.8847
589 258 0.8847
590 5WV 0.8847
591 6M4 0.8846
592 3HM 0.8845
593 TIU 0.8843
594 TAR 0.8843
595 DHB 0.8843
596 4SV 0.8843
597 PAF 0.8843
598 1XX 0.8842
599 H95 0.8841
600 PE9 0.8841
601 2RA 0.8840
602 MET 0.8840
603 SPA 0.8839
604 BEW 0.8838
605 VAL 0.8838
606 2AQ 0.8837
607 4NM 0.8837
608 IOM 0.8837
609 GYE 0.8836
610 93Q 0.8836
611 5OB 0.8834
612 2AI 0.8834
613 BZ3 0.8834
614 DFU 0.8834
615 3MB 0.8833
616 RIP 0.8833
617 MR1 0.8833
618 URS 0.8833
619 GJZ 0.8833
620 5XC 0.8829
621 KMT 0.8829
622 6M9 0.8828
623 TSU 0.8827
624 4MV 0.8826
625 JBE 0.8826
626 F9P 0.8824
627 0MK 0.8822
628 DPF 0.8821
629 4FS 0.8821
630 DBH 0.8820
631 7WV 0.8819
632 IFL 0.8817
633 AMT 0.8816
634 GOJ 0.8815
635 9EW 0.8815
636 XX2 0.8814
637 GLU 0.8814
638 DOB 0.8813
639 HV2 0.8812
640 OVM 0.8812
641 4A3 0.8812
642 SHA 0.8811
643 R8S 0.8811
644 93K 0.8810
645 BHA 0.8810
646 MED 0.8810
647 MEV 0.8809
648 LLQ 0.8809
649 HHA 0.8807
650 ICC 0.8807
651 51R 0.8807
652 PG0 0.8806
653 4BZ 0.8803
654 SR1 0.8802
655 1AN 0.8801
656 6MH 0.8800
657 NPY 0.8799
658 3M0 0.8799
659 CHB 0.8798
660 BPN 0.8797
661 FJO 0.8797
662 2HO 0.8797
663 P9P 0.8796
664 NEQ 0.8796
665 192 0.8795
666 2A7 0.8795
667 MYJ 0.8795
668 RHU 0.8795
669 3F0 0.8794
670 259 0.8793
671 2AS 0.8792
672 JYD 0.8791
673 FHB 0.8791
674 9TW 0.8789
675 03V 0.8789
676 ES7 0.8786
677 ISN 0.8786
678 1WD 0.8786
679 HL5 0.8783
680 OW4 0.8781
681 FB2 0.8781
682 F9Y 0.8781
683 MSF 0.8781
684 XCZ 0.8778
685 40O 0.8778
686 HSL 0.8776
687 OPE 0.8775
688 938 0.8774
689 GUA 0.8770
690 069 0.8770
691 ES5 0.8769
692 JLZ 0.8768
693 FP2 0.8767
694 TM4 0.8767
695 2CO 0.8766
696 JBK 0.8766
697 3HR 0.8764
698 IHB 0.8764
699 3MC 0.8763
700 PBE 0.8762
701 1M2 0.8759
702 SAN 0.8758
703 LYL 0.8757
704 2HE 0.8756
705 OCH 0.8756
706 3HA 0.8755
707 COU 0.8754
708 LXC 0.8750
709 DUB 0.8749
710 ETM 0.8749
711 FLA 0.8745
712 ARB 0.8744
713 PGA 0.8743
714 7W4 0.8743
715 4AX 0.8742
716 AC5 0.8742
717 8LG 0.8740
718 CAQ 0.8739
719 ORO 0.8738
720 BAE 0.8736
721 MBD 0.8732
722 KSW 0.8732
723 2C9 0.8729
724 OXE 0.8728
725 DE5 0.8728
726 GLC 0.8727
727 I4B 0.8727
728 264 0.8725
729 2MY 0.8724
730 H42 0.8722
731 7HQ 0.8722
732 2CM 0.8720
733 I3A 0.8720
734 MNN 0.8719
735 AMH 0.8716
736 KKN 0.8716
737 RM1 0.8716
738 ABE 0.8715
739 L89 0.8713
740 ICN 0.8713
741 S0H 0.8712
742 3CE 0.8711
743 76X 0.8711
744 92Z 0.8710
745 DMI 0.8709
746 SJ5 0.8703
747 32O 0.8701
748 YAN 0.8701
749 2BG 0.8700
750 BHH 0.8700
751 FBW 0.8699
752 82I 0.8699
753 TAU 0.8699
754 3MH 0.8697
755 4JT 0.8697
756 SVN 0.8696
757 JZ0 0.8696
758 3FA 0.8694
759 FLM 0.8693
760 2AF 0.8693
761 OGA 0.8690
762 L3Q 0.8688
763 FBS 0.8688
764 HPA 0.8686
765 ES0 0.8686
766 XPO 0.8682
767 9DG 0.8681
768 TYL 0.8679
769 F4Z 0.8678
770 DHS 0.8677
771 4J8 0.8677
772 PEP 0.8676
773 4ZC 0.8675
774 S76 0.8674
775 42J 0.8674
776 SAT 0.8673
777 MNM 0.8669
778 PAH 0.8669
779 QXW 0.8668
780 KP6 0.8667
781 GLN 0.8665
782 94N 0.8664
783 M1A 0.8664
784 FFP 0.8663
785 MAN 0.8663
786 FCR 0.8663
787 HH5 0.8661
788 DTI 0.8660
789 8WO 0.8659
790 FBV 0.8657
791 EUG 0.8657
792 DMD 0.8657
793 OTR 0.8656
794 JIF 0.8656
795 2D0 0.8656
796 AZA 0.8653
797 5RG 0.8652
798 GTQ 0.8652
799 QWN 0.8650
800 CIZ 0.8650
801 3ID 0.8644
802 COM 0.8644
803 OVP 0.8641
804 TC7 0.8638
805 2CQ 0.8627
806 150 0.8627
807 GAL 0.8627
808 GLY CYS 0.8626
809 EV0 0.8626
810 HDH 0.8625
811 67N 0.8624
812 G3P 0.8620
813 13P 0.8620
814 Q88 0.8616
815 54G 0.8615
816 2TQ 0.8615
817 DX4 0.8614
818 EFS 0.8608
819 45C 0.8606
820 BNF 0.8605
821 8X3 0.8603
822 7MH 0.8598
823 FUL 0.8593
824 ODV 0.8585
825 IPU 0.8580
826 10L 0.8577
827 ASC 0.8571
828 4HM 0.8563
829 A2F 0.8561
830 5M0 0.8561
831 T6C 0.8559
832 B2J 0.8555
833 SD4 0.8553
834 MTD 0.8552
835 6AP 0.8548
836 KYD 0.8546
837 9TZ 0.8538
838 V55 0.8538
839 5ZE 0.8530
840 13X 0.8528
841 AX2 0.8521
842 9SB 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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