Receptor
PDB id Resolution Class Description Source Keywords
6UJJ 1.73 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
QBP A:401;
 Valid;
 none;
 submit data
214.147 C8 H5 F3 N4 c1cc(...
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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: QBP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 QBP 1 1
2 3GG 0.433962 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: QBP; Similar ligands found: 346
No: Ligand Similarity coefficient
1 VC3 0.9814
2 3VS 0.9700
3 A5Q 0.9645
4 LR8 0.9495
5 RYV 0.9474
6 XCG 0.9438
7 8V8 0.9408
8 1A5 0.9381
9 S0D 0.9379
10 363 0.9355
11 3AE 0.9346
12 FBF 0.9343
13 AZM 0.9324
14 4NZ 0.9315
15 TMG 0.9310
16 3VQ 0.9308
17 F4K 0.9305
18 SNO 0.9299
19 S7J 0.9292
20 PTB 0.9286
21 LR5 0.9283
22 657 0.9274
23 OQC 0.9270
24 FZM 0.9263
25 TID 0.9263
26 6SD 0.9250
27 4CM 0.9244
28 2QC 0.9230
29 K4V 0.9220
30 JCZ 0.9196
31 LOT 0.9187
32 VFG 0.9181
33 QIV 0.9181
34 SWX 0.9170
35 6FB 0.9160
36 RNO 0.9155
37 S0E 0.9150
38 AES 0.9149
39 QME 0.9145
40 4NB 0.9138
41 M28 0.9138
42 4NP 0.9133
43 PQM 0.9130
44 WA1 0.9124
45 9NB 0.9117
46 80G 0.9115
47 8D6 0.9111
48 4CN 0.9109
49 MSR 0.9106
50 N4E 0.9105
51 X0U 0.9103
52 3VX 0.9102
53 F02 0.9100
54 LQ2 0.9098
55 0OK 0.9096
56 CPZ 0.9096
57 E3X 0.9095
58 WV7 0.9084
59 HNT 0.9084
60 KLE 0.9082
61 N91 0.9081
62 2FX 0.9076
63 EZL 0.9073
64 0FR 0.9071
65 AN3 0.9070
66 JBZ 0.9061
67 GO2 0.9057
68 KLS 0.9054
69 HC4 0.9045
70 I2E 0.9042
71 6P3 0.9040
72 L15 0.9038
73 ZRK 0.9037
74 PRL 0.9032
75 Y3L 0.9030
76 K7H 0.9028
77 JAH 0.9026
78 6KT 0.9023
79 NDD 0.9021
80 OLU 0.9018
81 TZF 0.9011
82 EUE 0.9009
83 K3D 0.9004
84 4I8 0.9004
85 4MB 0.9001
86 72E 0.9000
87 BX4 0.9000
88 JA5 0.8997
89 2P3 0.8995
90 7MW 0.8988
91 36Y 0.8987
92 0SY 0.8986
93 C1M 0.8983
94 LZ5 0.8981
95 2PV 0.8980
96 LO1 0.8978
97 FQX 0.8977
98 4BY 0.8971
99 3ZB 0.8971
100 GVY 0.8970
101 4HB 0.8969
102 A7N 0.8967
103 MKN 0.8966
104 2PK 0.8961
105 P81 0.8960
106 5TO 0.8958
107 A7H 0.8958
108 1OT 0.8956
109 2JX 0.8954
110 5TT 0.8952
111 RA7 0.8946
112 NY4 0.8946
113 HRM 0.8945
114 0F3 0.8938
115 G14 0.8936
116 7O4 0.8935
117 FHV 0.8931
118 4BL 0.8930
119 RYY 0.8929
120 5GV 0.8927
121 LGT 0.8926
122 833 0.8925
123 12T 0.8925
124 549 0.8923
125 H75 0.8921
126 PNP 0.8920
127 AM4 0.8915
128 4FE 0.8912
129 68B 0.8910
130 4NS 0.8909
131 MD6 0.8899
132 ODK 0.8896
133 2GQ 0.8894
134 ZHA 0.8893
135 6FG 0.8890
136 5E5 0.8889
137 UNJ 0.8888
138 KMY 0.8887
139 CHQ 0.8886
140 I3E 0.8886
141 428 0.8884
142 C53 0.8883
143 D9Z 0.8880
144 ENO 0.8874
145 ITE 0.8872
146 5GT 0.8871
147 27K 0.8869
148 A6W 0.8869
149 CX6 0.8868
150 5LA 0.8867
151 S7D 0.8866
152 L14 0.8865
153 BVA 0.8860
154 3R4 0.8858
155 ZZA 0.8852
156 PQS 0.8851
157 ESX 0.8850
158 5OR 0.8848
159 P4T 0.8845
160 0UL 0.8842
161 5VU 0.8842
162 RSV 0.8840
163 6J5 0.8832
164 BC5 0.8827
165 5WK 0.8824
166 BZ2 0.8824
167 72D 0.8820
168 8CC 0.8819
169 PPY 0.8818
170 92G 0.8818
171 ANF 0.8815
172 BHQ 0.8815
173 36E 0.8811
174 9JT 0.8806
175 RGP 0.8805
176 1F1 0.8804
177 VGS 0.8803
178 THA 0.8801
179 6C8 0.8801
180 397 0.8800
181 ZEC 0.8800
182 27B 0.8800
183 1Z6 0.8799
184 B1J 0.8798
185 9FH 0.8798
186 7EH 0.8797
187 X48 0.8792
188 EE8 0.8790
189 6H2 0.8788
190 BFL 0.8781
191 4BX 0.8780
192 8NB 0.8779
193 PUE 0.8779
194 NK5 0.8779
195 ICB 0.8778
196 AJ1 0.8776
197 SNU 0.8775
198 F40 0.8774
199 JMG 0.8772
200 4AU 0.8767
201 G1L 0.8765
202 47V 0.8762
203 S60 0.8762
204 ESP 0.8760
205 EES 0.8759
206 7FU 0.8758
207 BGU 0.8758
208 SLS 0.8757
209 BP7 0.8755
210 1EB 0.8754
211 5TY 0.8754
212 0JD 0.8749
213 L2K 0.8749
214 A51 0.8747
215 6C4 0.8745
216 XI7 0.8745
217 J38 0.8744
218 H4B 0.8743
219 2HC 0.8740
220 TYR 0.8740
221 D25 0.8737
222 7G0 0.8737
223 NAG 0.8736
224 DHC 0.8734
225 NPS 0.8734
226 YIP 0.8733
227 ST3 0.8732
228 E1T 0.8730
229 FMH 0.8729
230 GJP 0.8729
231 FF2 0.8725
232 VUP 0.8723
233 AJG 0.8723
234 6QF 0.8722
235 613 0.8722
236 GB5 0.8722
237 4LW 0.8721
238 FYR 0.8721
239 AA 0.8721
240 GF4 0.8720
241 3XR 0.8720
242 DAH 0.8718
243 2K8 0.8716
244 1HN 0.8715
245 P9E 0.8713
246 LR2 0.8710
247 HHS 0.8708
248 S98 0.8702
249 CT0 0.8701
250 KTJ 0.8701
251 6C5 0.8699
252 C82 0.8699
253 A5P 0.8697
254 GF1 0.8697
255 S0A 0.8695
256 15N 0.8693
257 4RU 0.8689
258 TCA 0.8689
259 2J1 0.8688
260 3W3 0.8688
261 3W6 0.8688
262 9R5 0.8685
263 5S9 0.8683
264 YZM 0.8681
265 Y0V 0.8681
266 DEZ 0.8681
267 A5E 0.8680
268 0ON 0.8679
269 9ZE 0.8679
270 M78 0.8679
271 XIZ 0.8678
272 QMR 0.8675
273 6FZ 0.8675
274 ANC 0.8673
275 LUM 0.8671
276 ANN 0.8670
277 1ZC 0.8669
278 EVF 0.8665
279 PNZ 0.8662
280 0LA 0.8661
281 5H6 0.8659
282 CC5 0.8656
283 H2B 0.8654
284 HBI 0.8654
285 2WU 0.8651
286 JAW 0.8651
287 MR6 0.8651
288 P80 0.8648
289 NPX 0.8646
290 0HN 0.8645
291 J6W 0.8644
292 E5X 0.8643
293 F4E 0.8640
294 PTR 0.8636
295 K82 0.8636
296 SSC 0.8636
297 ZSP 0.8636
298 HJ7 0.8634
299 FER 0.8633
300 LL1 0.8630
301 DVQ 0.8627
302 L1T 0.8626
303 KYN 0.8625
304 ZRL 0.8624
305 GHQ 0.8622
306 Z13 0.8619
307 BZJ 0.8619
308 SKF 0.8614
309 5OO 0.8611
310 68A 0.8611
311 BHI 0.8611
312 6MW 0.8609
313 4UM 0.8606
314 SJK 0.8603
315 MR5 0.8600
316 V1T 0.8600
317 BPN 0.8598
318 5O6 0.8598
319 DXK 0.8593
320 2ZM 0.8591
321 EAT 0.8591
322 W23 0.8589
323 9KZ 0.8587
324 A5H 0.8587
325 JF8 0.8582
326 3W8 0.8581
327 PLP 0.8580
328 1VK 0.8579
329 HX4 0.8576
330 F18 0.8576
331 OOG 0.8575
332 FCW 0.8574
333 KBZ 0.8568
334 A2G 0.8563
335 0DF 0.8563
336 TCR 0.8559
337 CNI 0.8558
338 IOP 0.8558
339 EST 0.8550
340 88L 0.8548
341 P4L 0.8546
342 1DR 0.8542
343 SNV 0.8539
344 BNL 0.8539
345 6NI 0.8538
346 KTW 0.8537
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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