Receptor
PDB id Resolution Class Description Source Keywords
2I5X 1.7 Å EC: 3.1.3.48 ENGINEERING THE PTPBETA CATALYTIC DOMAIN WITH IMPROVED CRYST PROPERTIES HOMO SAPIENS PROTEIN TYROSINE PHOSPHATASE WPD-LOOP DRUG DESIGN PROTEINENGINEERING HYDROLASE
Ref.: ENGINEERING THE CATALYTIC DOMAIN OF HUMAN PROTEIN T PHOSPHATASE BETA FOR STRUCTURE-BASED DRUG DISCOVERY ACTA CRYSTALLOGR.,SECT.D V. 62 1435 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:602;
B:603;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MG B:601;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
UA5 A:701;
B:702;
Valid;
Valid;
none;
none;
submit data
201.243 C8 H11 N O3 S CCc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2H04 2.3 Å EC: 3.1.3.48 STRUCTURAL STUDIES OF PROTEIN TYROSINE PHOSPHATASE BETA CATA DOMAIN IN COMPLEX WITH INHIBITORS - HOMO SAPIENS
Ref.: DESIGN AND SYNTHESIS OF POTENT, NON-PEPTIDIC INHIBI HPTPBETA. BIOORG.MED.CHEM.LETT. V. 16 4252 2006
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2I5X - UA5 C8 H11 N O3 S CCc1ccc(cc....
2 2I4H - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
3 2H02 ic50 = 0.32 uM 2UN C19 H21 N O7 S COC(=O)C(C....
4 2I4G - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
5 2H04 ic50 = 0.07 uM 4UN C21 H21 N5 O5 S Cc1nc(no1)....
6 2H03 ic50 = 0.09 uM 3UN C21 H32 N2 O9 S CCOC(=O)C(....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2I5X - UA5 C8 H11 N O3 S CCc1ccc(cc....
2 2I4H - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
3 2H02 ic50 = 0.32 uM 2UN C19 H21 N O7 S COC(=O)C(C....
4 2I4G - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
5 2H04 ic50 = 0.07 uM 4UN C21 H21 N5 O5 S Cc1nc(no1)....
6 2H03 ic50 = 0.09 uM 3UN C21 H32 N2 O9 S CCOC(=O)C(....
50% Homology Family (140)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1L8G - DBD C18 H14 N2 O9 S2 c1ccc2c(c1....
2 2CNI ic50 = 21 nM IZF C31 H34 Cl N3 O10 S2 COC(=O)c1c....
3 2F6Y ic50 = 134.8 uM ENT C16 H23 N3 O6 S CC(C)(C)OC....
4 2F6T Ki = 24 uM 1C2 C16 H23 N3 O6 S CC(C)(C)OC....
5 1NL9 - 989 C29 H31 N3 O7 CCCCCNC(=O....
6 2CM7 ic50 = 210 nM IZD C23 H26 N4 O6 S CC(=O)N[C@....
7 1C83 Ki = 14 uM OAI C11 H8 N2 O5 c1c[nH]c2c....
8 2AZR Ki = 230 uM 982 C10 H7 N O5 S c1cc2c(c(s....
9 1PH0 - 418 C34 H35 N3 O12 COC(=O)c1c....
10 1Q6N ic50 = 0.023 uM P90 C31 H25 F2 N4 O3 P S c1ccc(cc1)....
11 1Q6S ic50 = 12 nM 214 C38 H32 F2 N4 O6 P2 Cc1ccc2cc(....
12 1KAK ic50 = 26 uM FNP C12 H10 F4 O6 P2 c1cc(cc2c1....
13 2HB1 Ki = 160 uM 512 C7 H5 Br O5 S c1c(c(c(s1....
14 1PTV - PTR C9 H12 N O6 P c1cc(ccc1C....
15 1BZH Ki = 0.17 uM ASP ALA ASP GLU FLT LEU AEA n/a n/a
16 2CNE ic50 = 1.7 nM DFJ C28 H29 F4 N3 O9 P2 c1ccc(cc1)....
17 1XBO Ki = 0.92 uM IX1 C22 H19 N O8 COC(=O)c1c....
18 2F6Z ic50 = 4.8 uM UN5 C20 H24 N4 O8 S2 CNC(=O)[C@....
19 2CMA ic50 = 185 nM F20 C28 H28 N4 O6 S c1ccc(cc1)....
20 1PTY - PTR C9 H12 N O6 P c1cc(ccc1C....
21 1C88 Ki = 5.1 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
22 1ECV Ki = 14 uM 878 C9 H6 I N O5 c1cc(c(cc1....
23 2F6V ic50 = 37 uM SK2 C19 H21 N3 O6 S CNC(=O)[C@....
24 2CNF ic50 = 240 nM F32 C25 H21 N5 O3 S2 c1ccc2c(c1....
25 1ONZ - 968 C19 H13 N O6 c1ccc(c(c1....
26 2QBS Ki = 0.21 uM 024 C19 H20 Br N O5 S c1cc(cc(c1....
27 2VEV ic50 = 300 nM IZ2 C28 H25 F3 N4 O5 S2 c1ccc(cc1)....
28 4Y14 Ki = 40 nM C0A C12 H16 Br F2 N2 O6 P S CNC(=O)[C@....
29 1ONY - 588 C27 H32 N4 O9 S CCCCCNC(=O....
30 1NNY - 515 C40 H37 N3 O10 CC(=O)N[C@....
31 2ZN7 Ki = 13 nM 410 C26 H24 Br N O6 S c1ccc(cc1)....
32 2VEU ic50 = 100 nM IZ1 C27 H23 F3 N4 O5 S2 c1ccc(cc1)....
33 1JF7 - TBH C31 H47 N3 O9 CCCCCN[C@@....
34 5KAD Kd = 37 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
35 5KA3 Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
36 3EAX Ki = 12 uM LZP C38 H34 N2 O8 c1ccc(cc1)....
37 1QXK Ki = 9 uM 429 C25 H30 N2 O10 CC(=O)N[C@....
38 2QBR Ki = 0.47 uM 910 C20 H16 Br N O5 S c1ccc(cc1)....
39 1T48 ic50 = 350 uM BB3 C19 H17 Br2 N O5 S CCc1c(c2cc....
40 1PYN Ki = 3.2 uM 941 C29 H36 N2 O12 CC(C)(C)OC....
41 2FJN ic50 = 39 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
42 2F71 ic50 = 2.5 uM UN7 C21 H23 N3 O7 S CNC(=O)[C@....
43 1Q6P ic50 = 3 nM 213 C34 H29 F2 N3 O6 P2 c1ccc(cc1)....
44 1WAX ic50 = 86 uM LO1 C9 H10 N2 O3 c1cc(ccc1C....
45 2CNH ic50 = 59 nM IZB C27 H27 N5 O6 S2 CN1CCOc2c1....
46 1Q6T ic50 = 5 nM 600 C43 H42 F2 N4 O7 P2 CC(C)C[C@@....
47 2VEX ic50 = 130 nM IZ4 C28 H29 F N4 O5 S2 c1ccc(cc1)....
48 1Q6J ic50 = 0.016 uM 335 C29 H25 F4 N3 O6 P2 c1ccc(cc1)....
49 3EB1 Ki = 16.3 uM LZQ C24 H21 N O4 c1ccc(cc1)....
50 1G7F Ki = 3.4 uM INZ C27 H33 N3 O9 CCCCCNC(=O....
51 2ZMM Ki = 25 nM 35B C21 H23 Br N2 O6 S CNC(=O)N(c....
52 1AAX - BPM C13 H14 O8 P2 c1cc(ccc1C....
53 1BZC Ki = 12 uM TPI C17 H17 F2 N2 O7 P c1cc(cc2c1....
54 2QBQ Ki = 0.036 uM 4B3 C23 H28 Br N O5 S CC1(CC(CC(....
55 5K9W Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
56 6B8Z - FRJ C26 H19 Br2 N3 O7 S3 CCc1c(c2cc....
57 2CMC ic50 = 1750 nM DFM C21 H24 F2 N3 O6 P CC(=O)N[C@....
58 2CMB ic50 = 65 nM F17 C32 H29 N5 O9 S2 c1ccc(cc1)....
59 2F70 ic50 = 33.5 uM UN6 C16 H19 N3 O7 S2 c1cc(cc(c1....
60 1KAV Ki = 1.5 uM FEP C18 H20 F4 O6 P2 c1cc(ccc1C....
61 2NT7 Ki = 0.3 uM 902 C25 H25 Br N6 O5 S2 c1ccc(cc1)....
62 1C87 Ki = 63 uM OPA C10 H9 N O6 S C1COCc2c1c....
63 5KAB - OTA C10 H10 N2 O5 S C1CNCc2c1c....
64 2H4K Ki = 3.2 uM 509 C13 H9 Br O5 S c1ccc(cc1)....
65 1G7G Ki = 0.25 uM INX C30 H37 N3 O10 CCCCCNC(=O....
66 5T19 - 73U C16 H17 N3 O3 S Cc1ccc(cc1....
67 1C86 Ki = 20 uM OPA C10 H9 N O6 S C1COCc2c1c....
68 2H4G Ki = 0.3 uM 694 C13 H9 Br O6 S c1cc(ccc1c....
69 5KA1 Kd = 33 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
70 2BGE ic50 = 1608 uM T2D C8 H8 N2 O3 S c1ccc(cc1)....
71 1PXH - SNA C32 H41 F4 N5 O13 P2 S c1cc(ccc1C....
72 2QBP Ki = 0.004 uM 527 C25 H25 Br N2 O7 S2 c1ccc(cc1)....
73 1Q6M ic50 = 0.013 uM P27 C29 H23 F6 N3 O6 P2 c1ccc2c(c1....
74 2VEW ic50 = 64 nM IZ3 C27 H22 F2 N4 O5 S2 c1ccc(c(c1....
75 2B07 Ki = 0.37 uM 598 C25 H24 N2 O7 S3 c1ccc(cc1)....
76 3I7Z - ASP ALA ASP GLU TYR LEU n/a n/a
77 1EEN - ALA ASP PBF PTR LEU ILE PRO n/a n/a
78 1LQF - BGD C32 H34 F4 N4 O12 P2 c1ccc(cc1)....
79 2BGD ic50 = 2.47 uM T1D C15 H14 N2 O4 S COc1ccc(cc....
80 1T49 ic50 = 22 uM 892 C23 H18 Br2 N2 O7 S2 CCc1c(c2cc....
81 2NTA Ki = 16 uM 521 C12 H9 Cl N2 O3 S2 c1ccc(cc1)....
82 1NWL - 964 C19 H27 N5 O5 S2 CC(=O)NCCS....
83 2VEY ic50 = 43 nM IZ5 C29 H29 F N4 O5 S2 c1ccc(cc1)....
84 5KA7 Kd = 45 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
85 2FJM ic50 = 142 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
86 1GFY - COL C10 H9 N O5 S2 C1CSCc2c1c....
87 1NZ7 - 901 C32 H40 N4 O10 S CCc1cc(ccc....
88 3CWE ic50 = 0.12 uM 825 C22 H18 Br F2 O4 P c1ccc(cc1)....
89 2CNG ic50 = 110 nM IZE C21 H16 F6 N4 O4 S c1cc(ccc1C....
90 2CM8 ic50 = 1350 nM F16 C9 H7 N O4 S c1cc(cc(c1....
91 1BZJ Ki = 22 uM PIC C12 H9 F2 O5 P c1cc(cc2c1....
92 2F6W - UN3 C10 H11 N3 O3 S Cn1c(cc(n1....
93 1NO6 - 794 C19 H13 N O5 c1ccc2c(c1....
94 1C84 Ki = 9.9 uM 761 C13 H9 N O5 c1ccc2cc(c....
95 5KA9 Kd = 39 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
96 4GE6 Ki = 34 nM B26 C42 H45 Br F2 I N6 O11 P Cc1cc(ccc1....
97 4GE5 ic50 = 0.27 uM A89 C30 H31 Br F2 I N4 O7 P Cc1cc(ccc1....
98 4GE2 ic50 = 0.9 uM 75A C24 H28 F2 I N4 O7 P CC(=O)N[C@....
99 3D44 - LEU ASP GLU PTR VAL ALA THR ARG n/a n/a
100 3D42 - LEU THR GLU PTR VAL ALA THR ARG n/a n/a
101 3O5X ic50 = 5.5 uM JZG C33 H27 N5 O4 Cn1c2cc(c(....
102 4RDD ic50 = 16.8 uM 3LU C21 H22 N3 O8 S2 c1ccc(cc1)....
103 4RH5 Kd = 127.3 nM PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
104 6BMU - DZV C23 H17 Cl N4 O3 COc1cccc(c....
105 6BMX - DYV C29 H24 Cl N5 O6 COc1cccc(c....
106 6MDD ic50 = 47 uM JE7 C12 H8 Cl2 N4 S c1cc(c(c(c....
107 6BMV - DZS C23 H15 Cl N4 O4 c1ccc(c(c1....
108 6MD9 - JEJ C22 H20 Cl N3 O2 CN1C(=Cc2c....
109 6BN5 - DZJ C17 H11 Cl N2 O2 S c1ccc(cc1)....
110 6BMY - DYV C29 H24 Cl N5 O6 COc1cccc(c....
111 6MDC ic50 = 0.036 uM JEA C23 H29 Cl N8 O2 C[C@H]1[C@....
112 5EHR Kd = 73 nM 5OD C16 H19 Cl2 N5 CC1(CCN(CC....
113 6MD7 ic50 = 0.181 uM JE1 C17 H20 F3 N5 O S CC1(CCN(CC....
114 6BMW - DZS C23 H15 Cl N4 O4 c1ccc(c(c1....
115 6BMR - DZV C23 H17 Cl N4 O3 COc1cccc(c....
116 6CMR - 5OD C16 H19 Cl2 N5 CC1(CCN(CC....
117 6MDA - JED C20 H14 Br N3 O2 Cc1ccc(cc1....
118 7JVN ic50 = 0.029 uM VKP C16 H19 Cl2 N5 S CC1(CCN(CC....
119 6MDB ic50 = 0.064 uM JE4 C18 H20 Cl2 N6 O CC1(CCN(CC....
120 5EHP ic50 = 12 uM 5OA C16 H19 Cl2 N5 C[C@@H]1CN....
121 7JVM ic50 = 0.011 uM VKS C18 H24 Cl N7 O S C[C@H]1[C@....
122 3QCH ic50 = 3.3 uM NX2 C13 H11 Cl2 N O3 S3 CS(=O)(=O)....
123 3QCI ic50 = 3.8 uM NX3 C18 H14 Cl2 N2 O3 S3 c1cc(cc(c1....
124 3QCJ ic50 = 0.5 uM NX4 C20 H15 Cl2 N O6 S3 COc1ccc(cc....
125 3QCL ic50 = 4 uM NXV C18 H14 Cl2 O3 S c1cc(c(cc1....
126 3QCE Ki = 2.5 uM NXY C12 H8 Cl2 O2 S2 c1cc(c(cc1....
127 3QCM - NXW C27 H25 Cl2 N3 O3 S CNCCNCC(=O....
128 3QCF Ki = 2.5 uM NXY C12 H8 Cl2 O2 S2 c1cc(c(cc1....
129 3QCG - NX1 C12 H8 Br Cl O2 S2 c1cc(c(cc1....
130 3QCK ic50 = 5.8 uM NX5 C14 H10 Cl2 O2 S c1ccc(c(c1....
131 5OVX Kd = 31.4 uM AY5 C20 H17 Cl2 O5 P c1cc(cc(c1....
132 6H8R - FWB C10 H12 F3 N O C[C@@H](Cc....
133 5OW1 Kd = 70.4 uM AY8 C19 H21 F2 O4 P c1cc(cc(c1....
134 4J51 ic50 = 0.259 uM N75 C28 H20 Cl N O6 c1cc(cc(c1....
135 2I5X - UA5 C8 H11 N O3 S CCc1ccc(cc....
136 2I4H - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
137 2H02 ic50 = 0.32 uM 2UN C19 H21 N O7 S COC(=O)C(C....
138 2I4G - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
139 2H04 ic50 = 0.07 uM 4UN C21 H21 N5 O5 S Cc1nc(no1)....
140 2H03 ic50 = 0.09 uM 3UN C21 H32 N2 O9 S CCOC(=O)C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UA5; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 UA5 1 1
2 2UN 0.415094 0.759259
3 IS2 0.409091 0.62
Similar Ligands (3D)
Ligand no: 1; Ligand: UA5; Similar ligands found: 376
No: Ligand Similarity coefficient
1 88L 0.9972
2 1FD 0.9715
3 4NS 0.9613
4 GWM 0.9603
5 4NP 0.9589
6 4MB 0.9548
7 54Z 0.9514
8 N4E 0.9478
9 TYL 0.9419
10 4HP 0.9363
11 YI6 0.9360
12 TYR 0.9357
13 BL0 0.9347
14 2O8 0.9346
15 AEG 0.9339
16 PNP 0.9325
17 AZM 0.9309
18 8U3 0.9305
19 TYE 0.9279
20 CPZ 0.9268
21 36Y 0.9265
22 SNO 0.9261
23 86L 0.9258
24 M4S 0.9256
25 5LA 0.9246
26 6KT 0.9245
27 8NB 0.9229
28 MSR 0.9228
29 0F3 0.9227
30 S0E 0.9224
31 PH3 0.9223
32 HC4 0.9210
33 F4K 0.9205
34 P9E 0.9201
35 3W8 0.9199
36 5DS 0.9195
37 657 0.9191
38 MP5 0.9190
39 MAJ 0.9185
40 4I8 0.9177
41 EVF 0.9176
42 PPT 0.9173
43 2QC 0.9162
44 1OS 0.9158
45 B85 0.9150
46 AM4 0.9145
47 AMS 0.9143
48 A7H 0.9140
49 AAN 0.9138
50 TSU 0.9138
51 YPN 0.9136
52 PNZ 0.9136
53 AES 0.9129
54 ANN 0.9127
55 NAG 0.9127
56 EUE 0.9122
57 Z13 0.9119
58 E4P 0.9117
59 TZF 0.9117
60 SDF 0.9116
61 3VS 0.9112
62 4BY 0.9110
63 MZM 0.9109
64 AMH 0.9108
65 I3E 0.9104
66 CFA 0.9101
67 4JC 0.9100
68 A7N 0.9099
69 AHC 0.9098
70 EN1 0.9092
71 K4V 0.9092
72 A5E 0.9091
73 K82 0.9087
74 HHH 0.9087
75 36E 0.9084
76 HPP 0.9078
77 6SD 0.9077
78 RNO 0.9077
79 DHY 0.9076
80 DJN 0.9074
81 7O4 0.9074
82 SNU 0.9071
83 3ZB 0.9071
84 7MW 0.9069
85 KBZ 0.9065
86 YIE 0.9064
87 3C4 0.9055
88 QMP 0.9051
89 EPR 0.9049
90 C82 0.9049
91 4FA 0.9049
92 ENO 0.9048
93 UNJ 0.9048
94 P81 0.9047
95 J6W 0.9042
96 ZEC 0.9042
97 GVY 0.9041
98 DTY 0.9039
99 9NB 0.9039
100 OQC 0.9037
101 IOS 0.9035
102 RA7 0.9034
103 HPS 0.9030
104 ZYX 0.9030
105 S24 0.9028
106 80G 0.9026
107 PFF 0.9025
108 ST3 0.9024
109 PMF 0.9023
110 TX4 0.9022
111 FHC 0.9022
112 TGX 0.9017
113 YRL 0.9017
114 4CM 0.9016
115 B41 0.9014
116 OTR 0.9010
117 4J8 0.9008
118 2BX 0.9005
119 94W 0.9004
120 C1M 0.9002
121 9R5 0.9001
122 JAH 0.8999
123 KTJ 0.8994
124 DDU 0.8994
125 HNK 0.8994
126 0A1 0.8993
127 1X4 0.8991
128 4CF 0.8991
129 XCG 0.8990
130 363 0.8989
131 AEF 0.8989
132 A5P 0.8988
133 DEZ 0.8985
134 TYC 0.8985
135 RES 0.8984
136 0JD 0.8982
137 EYV 0.8981
138 5RP 0.8979
139 VC3 0.8979
140 FUD 0.8977
141 EPE 0.8975
142 4AF 0.8972
143 SYC 0.8971
144 R52 0.8970
145 R5P 0.8970
146 ISA 0.8969
147 Y4L 0.8967
148 TMG 0.8961
149 FOM 0.8958
150 JDN 0.8957
151 HDH 0.8955
152 DER 0.8951
153 6FZ 0.8950
154 FBF 0.8948
155 SKF 0.8946
156 RBJ 0.8943
157 9VQ 0.8943
158 1OU 0.8943
159 CWJ 0.8942
160 NFM 0.8942
161 0NX 0.8937
162 BPW 0.8934
163 E0O 0.8933
164 4VY 0.8932
165 EUH 0.8931
166 DVQ 0.8930
167 IAC 0.8924
168 4BF 0.8920
169 SAN 0.8919
170 LO1 0.8918
171 1L5 0.8909
172 PPN 0.8907
173 PPY 0.8905
174 SYE 0.8904
175 MQG 0.8904
176 4JE 0.8903
177 SWX 0.8900
178 MES 0.8894
179 Q9Z 0.8893
180 2UB 0.8890
181 F4E 0.8889
182 EE8 0.8888
183 TRP 0.8888
184 SSC 0.8888
185 LLH 0.8888
186 HNL 0.8885
187 ATX 0.8881
188 FTV 0.8878
189 2FX 0.8877
190 R1P 0.8875
191 HXY 0.8875
192 NOK 0.8875
193 LX1 0.8874
194 DXP 0.8871
195 OGA 0.8866
196 BPN 0.8866
197 L15 0.8866
198 A2G 0.8866
199 5DL 0.8865
200 NGA 0.8864
201 4NB 0.8863
202 PHI 0.8859
203 OHJ 0.8857
204 MTL 0.8857
205 E5X 0.8854
206 SEP 0.8853
207 3W3 0.8852
208 CXH 0.8852
209 PHE 0.8844
210 3XR 0.8839
211 LXP 0.8837
212 IC9 0.8835
213 61M 0.8832
214 IBP 0.8830
215 GLY GLY GLY 0.8830
216 NF3 0.8829
217 LTT 0.8826
218 P80 0.8825
219 GZQ 0.8822
220 3VR 0.8821
221 3VX 0.8821
222 SG3 0.8817
223 3W6 0.8817
224 JA5 0.8813
225 BBK 0.8813
226 FF3 0.8812
227 5OO 0.8812
228 4BL 0.8809
229 NDG 0.8807
230 4SX 0.8807
231 S0W 0.8807
232 92G 0.8805
233 Q02 0.8803
234 ABF 0.8801
235 1Z6 0.8800
236 HWD 0.8799
237 DZA 0.8798
238 L14 0.8795
239 SOR 0.8793
240 ICB 0.8791
241 36M 0.8789
242 EQW 0.8789
243 PTR 0.8787
244 5LD 0.8787
245 Q03 0.8785
246 FK8 0.8785
247 MS9 0.8782
248 FBS 0.8782
249 5WZ 0.8781
250 ALE 0.8780
251 6P3 0.8780
252 4NZ 0.8779
253 LDP 0.8775
254 9BF 0.8773
255 5TT 0.8772
256 1A5 0.8772
257 ALX 0.8771
258 K7M 0.8770
259 3PG 0.8764
260 GLO 0.8763
261 5SP 0.8762
262 HNH 0.8762
263 4BZ 0.8760
264 42J 0.8755
265 YF3 0.8753
266 DHR 0.8753
267 FCR 0.8752
268 X0V 0.8752
269 CS2 0.8750
270 9FH 0.8749
271 F90 0.8748
272 DAH 0.8744
273 AAS 0.8742
274 54E 0.8741
275 HCI 0.8741
276 FZM 0.8739
277 PAC 0.8739
278 A98 0.8739
279 YOF 0.8738
280 HIC 0.8736
281 LR8 0.8736
282 RP5 0.8734
283 ODO 0.8731
284 Q06 0.8725
285 C53 0.8725
286 TAG 0.8723
287 TSR 0.8723
288 PZM 0.8723
289 HFA 0.8723
290 KDG 0.8722
291 GCO 0.8720
292 14W 0.8719
293 PO6 0.8719
294 BQ2 0.8716
295 IYR 0.8714
296 CXP 0.8713
297 1KN 0.8713
298 LNR 0.8713
299 I2E 0.8713
300 6ZX 0.8712
301 G3H 0.8711
302 DPN 0.8710
303 HNM 0.8710
304 SSB 0.8709
305 2FY 0.8709
306 8D6 0.8706
307 VD9 0.8705
308 IOP 0.8705
309 6C5 0.8703
310 4FP 0.8703
311 PA5 0.8703
312 F98 0.8702
313 3QM 0.8697
314 HSX 0.8697
315 ZON 0.8692
316 NFA 0.8689
317 PHU 0.8688
318 B3U 0.8682
319 AC6 0.8679
320 3HP 0.8679
321 LDC 0.8678
322 S7A 0.8677
323 SBK 0.8676
324 S7G 0.8675
325 9GB 0.8673
326 B40 0.8670
327 ST2 0.8668
328 173 0.8668
329 FMQ 0.8667
330 M4T 0.8662
331 LFC 0.8653
332 PLR 0.8652
333 DCZ 0.8651
334 HF2 0.8651
335 LGT 0.8647
336 DUR 0.8646
337 RCV 0.8642
338 M5E 0.8637
339 SN4 0.8636
340 STX 0.8629
341 SQV 0.8628
342 HHT 0.8628
343 5O6 0.8628
344 APS 0.8625
345 ARP 0.8622
346 I4B 0.8620
347 BRH 0.8618
348 9B3 0.8615
349 A7Q 0.8614
350 M6H 0.8613
351 L99 0.8611
352 MMS 0.8607
353 HL4 0.8606
354 S7J 0.8606
355 HG3 0.8605
356 GT4 0.8605
357 PCS 0.8600
358 EFF 0.8597
359 OOG 0.8591
360 M3H 0.8589
361 QY9 0.8589
362 3TC 0.8587
363 HJH 0.8582
364 CWD 0.8582
365 50C 0.8579
366 BCH 0.8575
367 J0Z 0.8568
368 BTM 0.8567
369 N9J 0.8564
370 NY4 0.8560
371 YTX 0.8551
372 THU 0.8545
373 IWD 0.8545
374 GO8 0.8537
375 2A9 0.8524
376 DXG 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2H04; Ligand: 4UN; 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: 2h04.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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