Receptor
PDB id Resolution Class Description Source Keywords
2inz 1.95 Å EC: 1.1.1.21 CRYSTAL STRUCTURE OF ALDOSE REDUCTASE COMPLEXED WITH 2- HYDROXYPHENYLACETIC ACID HOMO SAPIENS TIM-BARREL ARI ALDO-KETO REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL AND THERMODYNAMIC STUDIES OF SIMPLE ALDO REDUCTASE-INHIBITOR COMPLEXES. BIOORG.CHEM. V. 34 424 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:316;
 Valid;
 none;
 submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
OHP A:317;
 Valid;
 none;
 Ki = 3.5 uM
152.147 C8 H8 O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MAR 1.8 Å EC: 1.1.1.21 REFINED 1.8 ANGSTROMS STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE POTENT INHIBITOR ZOPOLRESTAT HOMO SAPIENS OXIDOREDUCTASE(NADP)
Ref.: REFINED 1.8 A STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE POTENT INHIBITOR ZOPOLRESTAT. PROC.NATL.ACAD.SCI.USA V. 90 9847 1993
Members (123)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6F81 - CIT C6 H8 O7 C(C(=O)O)C....
2 1AZ1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2PDK Kd = 270 nM SBI C11 H9 F N2 O3 c1cc2c(cc1....
4 3S3G ic50 = 2.39 uM TLT C15 H15 N O3 Cc1ccc(cc1....
5 4XZI Kd = 8894.2 nM F49 C14 H10 Br4 N2 O5 COc1c(c(c(....
6 6F8O - CIT C6 H8 O7 C(C(=O)O)C....
7 2PDJ Kd = 86.2 nM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
8 2ACQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 2PDN Kd = 3.8 uM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
10 2PDF Kd = 217 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
11 2PD5 Kd = 37 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
12 2IQD Ki = 25.5 uM LPA C8 H14 O2 S2 C1CSS[C@@H....
13 3LEN Kd = 2.56 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
14 2FZ9 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
15 2IPW Ki = 1 uM 2CL C8 H6 Cl2 O2 c1cc(c(c(c....
16 2IKH ic50 = 4.1 uM LIT C8 H5 N3 O6 S c1cc(oc1c2....
17 6F7R - CIT C6 H8 O7 C(C(=O)O)C....
18 1X98 ic50 = 11 uM FIS C12 H10 F N3 O4 c1cc2c(cc1....
19 2PDP Kd = 2.8 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
20 2PDC Kd = 256.4 nM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
21 2IKJ Kd = 0.04 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
22 3ONB - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
23 4XZH Kd = 91.1 nM 48I C13 H10 Cl N3 O6 c1cc(c(cc1....
24 2PDL Kd = 588 nM TOL C16 H14 F3 N O3 S CN(CC(=O)O....
25 3M64 Kd = 1.51 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
26 3ONC - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
27 3P2V Kd = 1.29 uM DOY C17 H15 N O3 S c1ccc(cc1)....
28 3BCJ - FIS C12 H10 F N3 O4 c1cc2c(cc1....
29 2PEV Kd = 6.5 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
30 1EL3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
31 2IKG ic50 = 0.53 uM BTO C12 H11 N3 O5 c1cc(cc(c1....
32 4LAU ic50 = 0.71 uM W8X C16 H13 Br Cl N O4 c1cc(ccc1C....
33 2ACS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
34 1X97 ic50 = 0.57 uM FIR C12 H10 F N3 O4 c1cc2c(cc1....
35 4LAZ ic50 = 1.9 uM 1WW C16 H13 Cl I N O4 c1cc(ccc1C....
36 3Q67 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 5OUJ ic50 = 0.35 uM AW8 C20 H15 Cl F N3 O3 CC1=Nc2c(c....
38 2J8T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
39 3G5E ic50 = 7 nM Q74 C17 H10 F3 N3 O2 S c1cc2c(cn(....
40 1ADS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
41 2PDQ Kd = 2 uM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
42 1US0 ic50 = 30 nM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
43 3LEP Kd = 0.11 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
44 1PWM - FID C12 H10 F N3 O4 c1cc2c(cc1....
45 1X96 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 3GHS - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
47 2PDW Kd = 37 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
48 5HA7 Kd = 0.21 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
49 2PDM Kd = 0.4 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
50 4QXI ic50 = 1.3 uM I98 C16 H14 Cl F N2 O4 c1cc(c(cc1....
51 2PDI Kd = 53.2 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
52 2ACU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
53 4QX4 ic50 = 0.097 uM 3E2 C11 H8 N4 O2 S c1ccc2c(c1....
54 3GHT - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
55 2I16 - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
56 4IGS ic50 = 0.3 uM 64I C12 H2 F8 O2 c1(c(c(c(c....
57 2FZB - TOL C16 H14 F3 N O3 S CN(CC(=O)O....
58 3LBO Kd = 21.9 nM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
59 3DN5 ic50 = 0.17 uM 53N C13 H11 N O4 S c1cc(cc(c1....
60 4LB4 ic50 = 0.3 uM 1WX C16 H9 Br Cl F4 N O4 c1cc(c(cc1....
61 3LD5 Kd = 1.19 uM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
62 2F2K - TGG C14 H21 N3 O10 S C(CC(=O)N[....
63 2DUZ - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
64 4JIR ic50 = 0.021 uM EPR C15 H13 N O3 S2 C/C(=Cc1cc....
65 3LZ3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
66 2HVO - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
67 2AGT ic50 = 9 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
68 2PDG Kd = 35.5 nM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
69 2I17 - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
70 2PDX Kd = 2.38 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
71 3Q65 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
72 1T41 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
73 2PDB Kd = 97 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
74 6F82 - CIT C6 H8 O7 C(C(=O)O)C....
75 2FZD - TOL C16 H14 F3 N O3 S CN(CC(=O)O....
76 1Z3N ic50 = 5 nM 3NA C18 H11 F3 N2 O2 S c1ccc2c(c1....
77 3T42 Ki = 107 nM 3T4 C17 H12 Cl N3 O6 c1cc(c(cc1....
78 2ACR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2DUX - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
80 2PF8 Kd = 6.5 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
81 2PDY Kd = 158 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
82 3M4H Kd = 1.01 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
83 3LQG Kd = 0.301 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
84 2FZ8 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
85 2NVC ic50 = 0.14 uM ITA C16 H11 N O9 S c1ccc2c(c1....
86 5OUK ic50 = 0.26 uM AVT C21 H16 F N3 O4 CC1=Nc2c(c....
87 3GHR - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
88 2PFH Kd = 6.5 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
89 4LBS ic50 = 1.19 uM 4O8 C16 H11 Br Cl F2 N O4 c1cc(c(cc1....
90 3LZ5 Kd = 0.827 uM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
91 3MB9 Kd = 0.106 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
92 3V36 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
93 1Z89 Ka = 1100000 M^-1 62P C13 H9 Cl N2 O4 S Cc1c2cc(cc....
94 3LQL Kd = 1.64 uM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
95 1PWL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
96 3U2C ic50 = 0.4 uM SUZ C20 H17 F O3 S CC1=C(c2cc....
97 1T40 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
98 5OU0 ic50 = 0.21 uM AV5 C20 H14 Cl N3 O3 CC1=Nc2c(c....
99 3MC5 Kd = 1.51 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
100 2PDH Kd = 227 nM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
101 2IKI Kd = 0.032 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
102 2PDU Kd = 2.5 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
103 1Z8A Ka = 1100000 M^-1 62P C13 H9 Cl N2 O4 S Cc1c2cc(cc....
104 3GHU - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
105 2IS7 Ki = 4.4 uM 2CL C8 H6 Cl2 O2 c1cc(c(c(c....
106 1MAR ic50 = 3 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
107 2ISF Ki = 360 uM PAC C8 H8 O2 c1ccc(cc1)....
108 3M0I Kd = 1.85 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
109 2IQ0 Ki = 68.6 uM 6NA C6 H12 O2 CCCCCC(=O)....
110 2DV0 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
111 4LB3 ic50 = 0.19 uM M15 C16 H12 Cl F I N O4 c1cc(c(cc1....
112 2NVD ic50 = 0.55 uM ITB C14 H9 N O7 S c1ccc2c(c1....
113 1IEI ic50 = 44 nM ZES C17 H11 Br Cl F N2 O4 c1cc2c(cc1....
114 2PD9 Kd = 8.3 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
115 2INZ Ki = 3.5 uM OHP C8 H8 O3 c1ccc(c(c1....
116 4LBR ic50 = 1.36 uM 4O9 C16 H11 Cl F2 I N O4 c1cc(c(cc1....
117 2QXW - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
118 1ABN - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
119 2HVN - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
120 2HV5 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
121 2INE Ki = 96 uM PAC C8 H8 O2 c1ccc(cc1)....
122 6F84 - CIT C6 H8 O7 C(C(=O)O)C....
123 3V35 Ki = 13.55 uM NTI C12 H9 N3 O5 S CC(=O)Oc1c....
70% Homology Family (105)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1XF0 - ASD C19 H26 O2 C[C@]12CCC....
2 4XVE ic50 = 2.9 uM WDS C24 H28 N4 O2 S CCCCCN1C(=....
3 1S1R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 4FAM ic50 = 0.013 uM 0SZ C16 H15 N O4 S c1ccc2c(c1....
5 4YVV ic50 = 3.72 uM GBM C23 H28 Cl N3 O5 S COc1ccc(cc....
6 4WDU ic50 = 2.6 uM WDU C11 H8 Cl2 N4 O3 c1cc(ccc1C....
7 4DBS ic50 = 0.08 uM 0HV C17 H12 N2 O4 c1ccc2c(c1....
8 4WDX - WDX C17 H22 N2 O2 Cc1ccc2c(c....
9 4DBW ic50 = 0.1 uM 511 C18 H14 Cl N O4 COc1ccc2c(....
10 4WDT ic50 = 0.29 uM WDT C12 H9 N O5 S c1ccc(cc1)....
11 1RY8 - RUT C27 H30 O16 C[C@H]1[C@....
12 2FGB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4FAL ic50 = 0.05 uM 0T0 C17 H18 N2 O3 S CNC(=O)c1c....
14 4ZFC ic50 = 19.62 uM GCZ C15 H21 N3 O3 S Cc1ccc(cc1....
15 4H7C ic50 = 0.088 uM 10H C16 H20 N2 O3 S C[C@@H]1CC....
16 4FA3 ic50 = 0.032 uM 0SL C16 H17 N O4 S c1ccc2cc(c....
17 1RY0 - PG2 C20 H32 O5 CCCCC[C@@H....
18 2F38 ic50 = 6 uM 15M C25 H37 N O4 CCNC(=O)CC....
19 4YVX ic50 = 0.85 uM GMR C24 H34 N4 O5 S CCC1=C(CN(....
20 7C7H ic50 = 34 nM FJU C18 H16 N2 O3 [H]/N=C1/C....
21 4HMN ic50 = 0.11 uM 16J C15 H20 Cl N3 O2 c1cc(ccc1N....
22 4WDW - WDW C15 H16 N2 O Cc1ccc2c(c....
23 1ZQ5 Ki = 6.9 nM E04 C25 H33 N O3 CC1(CC[C@@....
24 1S2C Ki ~ 0.14 uM FLF C14 H10 F3 N O2 c1ccc(c(c1....
25 6F2U ic50 = 0.44 uM CJ2 C18 H15 F3 N4 O3 COc1ccc(cc....
26 6F78 ic50 = 0.26 uM CVN C15 H8 F6 N2 O2 c1cc(c2c(c....
27 7C7G ic50 = 27 nM FJR C17 H14 N2 O3 [H]/N=C1/C....
28 6GXK - FFW C20 H16 Cl N3 O4 Cc1c(c2cc(....
29 1S1P - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 7C7F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
31 3V36 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 1Z89 Ka = 1100000 M^-1 62P C13 H9 Cl N2 O4 S Cc1c2cc(cc....
33 3LQL Kd = 1.64 uM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
34 1PWL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
35 3U2C ic50 = 0.4 uM SUZ C20 H17 F O3 S CC1=C(c2cc....
36 1T40 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 5OU0 ic50 = 0.21 uM AV5 C20 H14 Cl N3 O3 CC1=Nc2c(c....
38 3MC5 Kd = 1.51 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
39 2PDH Kd = 227 nM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
40 2IKI Kd = 0.032 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
41 2PDU Kd = 2.5 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
42 1Z8A Ka = 1100000 M^-1 62P C13 H9 Cl N2 O4 S Cc1c2cc(cc....
43 3GHU - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
44 2IS7 Ki = 4.4 uM 2CL C8 H6 Cl2 O2 c1cc(c(c(c....
45 1MAR ic50 = 3 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
46 2ISF Ki = 360 uM PAC C8 H8 O2 c1ccc(cc1)....
47 3M0I Kd = 1.85 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
48 2IQ0 Ki = 68.6 uM 6NA C6 H12 O2 CCCCCC(=O)....
49 2DV0 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
50 4LB3 ic50 = 0.19 uM M15 C16 H12 Cl F I N O4 c1cc(c(cc1....
51 2NVD ic50 = 0.55 uM ITB C14 H9 N O7 S c1ccc2c(c1....
52 1IEI ic50 = 44 nM ZES C17 H11 Br Cl F N2 O4 c1cc2c(cc1....
53 2PD9 Kd = 8.3 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
54 2INZ Ki = 3.5 uM OHP C8 H8 O3 c1ccc(c(c1....
55 4LBR ic50 = 1.36 uM 4O9 C16 H11 Cl F2 I N O4 c1cc(c(cc1....
56 2QXW - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
57 1ABN - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
58 2HVN - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
59 2HV5 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
60 2INE Ki = 96 uM PAC C8 H8 O2 c1ccc(cc1)....
61 6F84 - CIT C6 H8 O7 C(C(=O)O)C....
62 3V35 Ki = 13.55 uM NTI C12 H9 N3 O5 S CC(=O)Oc1c....
63 3CMF - PDN C21 H26 O5 C[C@]12CC(....
64 3CAQ Kd = 528 nM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
65 3BV7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
66 3UZW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 3BUV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
68 3G1R Ki = 2.1 uM FIT C23 H36 N2 O2 C[C@]12CC[....
69 3CAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70 3COT - STR C21 H30 O2 CC(=O)[C@H....
71 3UZY Ki = 47.1 uM BDT C19 H30 O2 C[C@]12CCC....
72 3BUR Ki = 14.45 uM TES C19 H28 O2 C[C@]12CC[....
73 3UZX - AOX C19 H30 O2 C[C@]12CC[....
74 3CAV - CI2 C21 H32 O2 CC(=O)[C@H....
75 5UXF Kd = 87 nM 2BA C20 H24 N10 O12 P2 c1nc(c2c(n....
76 6M7K - A A G n/a n/a
77 2HEJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
78 2IPF - FFA C19 H28 O2 C[C@]12CC[....
79 3CV6 ic50 = 50 uM HXS C18 H22 O2 CC[C@@H](c....
80 2IPG - FFA C19 H28 O2 C[C@]12CC[....
81 2P5N - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
82 1XJB Kd = 0.88 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 2HDJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
84 4L1W - STR C21 H30 O2 CC(=O)[C@H....
85 4L1X - STR C21 H30 O2 CC(=O)[C@H....
86 1J96 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 4XO7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
88 3NTY Ki = 0.86 nM 5P3 C13 H9 Cl O3 c1ccc(cc1)....
89 4XO6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
90 1MRQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
91 3C3U Ki = 5.9 nM C2U C7 H4 Cl2 O3 c1c(cc(c(c....
92 2IPJ - FFA C19 H28 O2 C[C@]12CC[....
93 5LIW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
94 4JII ic50 = 0.62 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
95 4WEV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
96 4XZL - F49 C14 H10 Br4 N2 O5 COc1c(c(c(....
97 5LIK - W8X C16 H13 Br Cl N O4 c1cc(ccc1C....
98 3O3R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
99 1Q5M - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
100 1Q13 - TES C19 H28 O2 C[C@]12CC[....
101 1EKO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
102 1AH0 - SBI C11 H9 F N2 O3 c1cc2c(cc1....
103 1CWN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
104 1AE4 Ki = 3 uM TOL C16 H14 F3 N O3 S CN(CC(=O)O....
105 1AFS - TES C19 H28 O2 C[C@]12CC[....
50% Homology Family (244)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1XF0 - ASD C19 H26 O2 C[C@]12CCC....
2 4XVE ic50 = 2.9 uM WDS C24 H28 N4 O2 S CCCCCN1C(=....
3 1S1R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 4FAM ic50 = 0.013 uM 0SZ C16 H15 N O4 S c1ccc2c(c1....
5 4YVV ic50 = 3.72 uM GBM C23 H28 Cl N3 O5 S COc1ccc(cc....
6 4WDU ic50 = 2.6 uM WDU C11 H8 Cl2 N4 O3 c1cc(ccc1C....
7 4DBS ic50 = 0.08 uM 0HV C17 H12 N2 O4 c1ccc2c(c1....
8 4WDX - WDX C17 H22 N2 O2 Cc1ccc2c(c....
9 4DBW ic50 = 0.1 uM 511 C18 H14 Cl N O4 COc1ccc2c(....
10 4WDT ic50 = 0.29 uM WDT C12 H9 N O5 S c1ccc(cc1)....
11 1RY8 - RUT C27 H30 O16 C[C@H]1[C@....
12 2FGB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4FAL ic50 = 0.05 uM 0T0 C17 H18 N2 O3 S CNC(=O)c1c....
14 4ZFC ic50 = 19.62 uM GCZ C15 H21 N3 O3 S Cc1ccc(cc1....
15 4H7C ic50 = 0.088 uM 10H C16 H20 N2 O3 S C[C@@H]1CC....
16 4FA3 ic50 = 0.032 uM 0SL C16 H17 N O4 S c1ccc2cc(c....
17 1RY0 - PG2 C20 H32 O5 CCCCC[C@@H....
18 2F38 ic50 = 6 uM 15M C25 H37 N O4 CCNC(=O)CC....
19 4YVX ic50 = 0.85 uM GMR C24 H34 N4 O5 S CCC1=C(CN(....
20 7C7H ic50 = 34 nM FJU C18 H16 N2 O3 [H]/N=C1/C....
21 4HMN ic50 = 0.11 uM 16J C15 H20 Cl N3 O2 c1cc(ccc1N....
22 4WDW - WDW C15 H16 N2 O Cc1ccc2c(c....
23 1ZQ5 Ki = 6.9 nM E04 C25 H33 N O3 CC1(CC[C@@....
24 1S2C Ki ~ 0.14 uM FLF C14 H10 F3 N O2 c1ccc(c(c1....
25 6F2U ic50 = 0.44 uM CJ2 C18 H15 F3 N4 O3 COc1ccc(cc....
26 6F78 ic50 = 0.26 uM CVN C15 H8 F6 N2 O2 c1cc(c2c(c....
27 7C7G ic50 = 27 nM FJR C17 H14 N2 O3 [H]/N=C1/C....
28 6GXK - FFW C20 H16 Cl N3 O4 Cc1c(c2cc(....
29 1S1P - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 7C7F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
31 1K8C - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 1Z9A - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1SM9 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1R38 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
35 1MI3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1YE6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1YE4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 6F81 - CIT C6 H8 O7 C(C(=O)O)C....
39 1AZ1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
40 2PDK Kd = 270 nM SBI C11 H9 F N2 O3 c1cc2c(cc1....
41 3S3G ic50 = 2.39 uM TLT C15 H15 N O3 Cc1ccc(cc1....
42 4XZI Kd = 8894.2 nM F49 C14 H10 Br4 N2 O5 COc1c(c(c(....
43 6F8O - CIT C6 H8 O7 C(C(=O)O)C....
44 2PDJ Kd = 86.2 nM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
45 2ACQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 2PDN Kd = 3.8 uM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
47 2PDF Kd = 217 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
48 2PD5 Kd = 37 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
49 2IQD Ki = 25.5 uM LPA C8 H14 O2 S2 C1CSS[C@@H....
50 3LEN Kd = 2.56 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
51 2FZ9 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
52 2IPW Ki = 1 uM 2CL C8 H6 Cl2 O2 c1cc(c(c(c....
53 2IKH ic50 = 4.1 uM LIT C8 H5 N3 O6 S c1cc(oc1c2....
54 6F7R - CIT C6 H8 O7 C(C(=O)O)C....
55 1X98 ic50 = 11 uM FIS C12 H10 F N3 O4 c1cc2c(cc1....
56 2PDP Kd = 2.8 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
57 2PDC Kd = 256.4 nM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
58 2IKJ Kd = 0.04 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
59 3ONB - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
60 4XZH Kd = 91.1 nM 48I C13 H10 Cl N3 O6 c1cc(c(cc1....
61 2PDL Kd = 588 nM TOL C16 H14 F3 N O3 S CN(CC(=O)O....
62 3M64 Kd = 1.51 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
63 3ONC - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
64 3P2V Kd = 1.29 uM DOY C17 H15 N O3 S c1ccc(cc1)....
65 3BCJ - FIS C12 H10 F N3 O4 c1cc2c(cc1....
66 2PEV Kd = 6.5 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
67 1EL3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
68 2IKG ic50 = 0.53 uM BTO C12 H11 N3 O5 c1cc(cc(c1....
69 4LAU ic50 = 0.71 uM W8X C16 H13 Br Cl N O4 c1cc(ccc1C....
70 2ACS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
71 1X97 ic50 = 0.57 uM FIR C12 H10 F N3 O4 c1cc2c(cc1....
72 4LAZ ic50 = 1.9 uM 1WW C16 H13 Cl I N O4 c1cc(ccc1C....
73 3Q67 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
74 5OUJ ic50 = 0.35 uM AW8 C20 H15 Cl F N3 O3 CC1=Nc2c(c....
75 2J8T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
76 3G5E ic50 = 7 nM Q74 C17 H10 F3 N3 O2 S c1cc2c(cn(....
77 1ADS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
78 2PDQ Kd = 2 uM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
79 1US0 ic50 = 30 nM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
80 3LEP Kd = 0.11 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
81 1PWM - FID C12 H10 F N3 O4 c1cc2c(cc1....
82 1X96 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 3GHS - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
84 2PDW Kd = 37 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
85 5HA7 Kd = 0.21 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
86 2PDM Kd = 0.4 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
87 4QXI ic50 = 1.3 uM I98 C16 H14 Cl F N2 O4 c1cc(c(cc1....
88 2PDI Kd = 53.2 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
89 2ACU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
90 4QX4 ic50 = 0.097 uM 3E2 C11 H8 N4 O2 S c1ccc2c(c1....
91 3GHT - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
92 2I16 - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
93 4IGS ic50 = 0.3 uM 64I C12 H2 F8 O2 c1(c(c(c(c....
94 2FZB - TOL C16 H14 F3 N O3 S CN(CC(=O)O....
95 3LBO Kd = 21.9 nM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
96 3DN5 ic50 = 0.17 uM 53N C13 H11 N O4 S c1cc(cc(c1....
97 4LB4 ic50 = 0.3 uM 1WX C16 H9 Br Cl F4 N O4 c1cc(c(cc1....
98 3LD5 Kd = 1.19 uM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
99 2F2K - TGG C14 H21 N3 O10 S C(CC(=O)N[....
100 2DUZ - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
101 4JIR ic50 = 0.021 uM EPR C15 H13 N O3 S2 C/C(=Cc1cc....
102 3LZ3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
103 2HVO - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
104 2AGT ic50 = 9 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
105 2PDG Kd = 35.5 nM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
106 2I17 - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
107 2PDX Kd = 2.38 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
108 3Q65 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
109 1T41 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
110 2PDB Kd = 97 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
111 6F82 - CIT C6 H8 O7 C(C(=O)O)C....
112 2FZD - TOL C16 H14 F3 N O3 S CN(CC(=O)O....
113 1Z3N ic50 = 5 nM 3NA C18 H11 F3 N2 O2 S c1ccc2c(c1....
114 3T42 Ki = 107 nM 3T4 C17 H12 Cl N3 O6 c1cc(c(cc1....
115 2ACR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
116 2DUX - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
117 2PF8 Kd = 6.5 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
118 2PDY Kd = 158 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
119 3M4H Kd = 1.01 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
120 3LQG Kd = 0.301 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
121 2FZ8 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
122 2NVC ic50 = 0.14 uM ITA C16 H11 N O9 S c1ccc2c(c1....
123 5OUK ic50 = 0.26 uM AVT C21 H16 F N3 O4 CC1=Nc2c(c....
124 3GHR - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
125 2PFH Kd = 6.5 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
126 4LBS ic50 = 1.19 uM 4O8 C16 H11 Br Cl F2 N O4 c1cc(c(cc1....
127 3LZ5 Kd = 0.827 uM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
128 3MB9 Kd = 0.106 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
129 3V36 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
130 1Z89 Ka = 1100000 M^-1 62P C13 H9 Cl N2 O4 S Cc1c2cc(cc....
131 3LQL Kd = 1.64 uM LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
132 1PWL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
133 3U2C ic50 = 0.4 uM SUZ C20 H17 F O3 S CC1=C(c2cc....
134 1T40 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
135 5OU0 ic50 = 0.21 uM AV5 C20 H14 Cl N3 O3 CC1=Nc2c(c....
136 3MC5 Kd = 1.51 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
137 2PDH Kd = 227 nM 47D C14 H10 Cl N3 O4 S c1cc2c(cc1....
138 2IKI Kd = 0.032 uM 388 C16 H12 Br Cl F N O4 c1cc(c(cc1....
139 2PDU Kd = 2.5 uM 393 C16 H13 Cl N2 O6 c1cc(cc(c1....
140 1Z8A Ka = 1100000 M^-1 62P C13 H9 Cl N2 O4 S Cc1c2cc(cc....
141 3GHU - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
142 2IS7 Ki = 4.4 uM 2CL C8 H6 Cl2 O2 c1cc(c(c(c....
143 1MAR ic50 = 3 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
144 2ISF Ki = 360 uM PAC C8 H8 O2 c1ccc(cc1)....
145 3M0I Kd = 1.85 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
146 2IQ0 Ki = 68.6 uM 6NA C6 H12 O2 CCCCCC(=O)....
147 2DV0 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
148 4LB3 ic50 = 0.19 uM M15 C16 H12 Cl F I N O4 c1cc(c(cc1....
149 2NVD ic50 = 0.55 uM ITB C14 H9 N O7 S c1ccc2c(c1....
150 1IEI ic50 = 44 nM ZES C17 H11 Br Cl F N2 O4 c1cc2c(cc1....
151 2PD9 Kd = 8.3 nM FID C12 H10 F N3 O4 c1cc2c(cc1....
152 2INZ Ki = 3.5 uM OHP C8 H8 O3 c1ccc(c(c1....
153 4LBR ic50 = 1.36 uM 4O9 C16 H11 Cl F2 I N O4 c1cc(c(cc1....
154 2QXW - LDT C16 H12 Br F2 N O3 S c1cc(c(cc1....
155 1ABN - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
156 2HVN - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
157 2HV5 - ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
158 2INE Ki = 96 uM PAC C8 H8 O2 c1ccc(cc1)....
159 6F84 - CIT C6 H8 O7 C(C(=O)O)C....
160 3V35 Ki = 13.55 uM NTI C12 H9 N3 O5 S CC(=O)Oc1c....
161 3UZZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
162 3DOP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
163 3CMF - PDN C21 H26 O5 C[C@]12CC(....
164 3CAQ Kd = 528 nM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
165 3BV7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
166 3UZW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
167 3BUV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
168 3G1R Ki = 2.1 uM FIT C23 H36 N2 O2 C[C@]12CC[....
169 3CAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
170 3COT - STR C21 H30 O2 CC(=O)[C@H....
171 3UZY Ki = 47.1 uM BDT C19 H30 O2 C[C@]12CCC....
172 3BUR Ki = 14.45 uM TES C19 H28 O2 C[C@]12CC[....
173 3UZX - AOX C19 H30 O2 C[C@]12CC[....
174 3CAV - CI2 C21 H32 O2 CC(=O)[C@H....
175 5UXF Kd = 87 nM 2BA C20 H24 N10 O12 P2 c1nc(c2c(n....
176 6M7K - A A G n/a n/a
177 2HEJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
178 2IPF - FFA C19 H28 O2 C[C@]12CC[....
179 3CV6 ic50 = 50 uM HXS C18 H22 O2 CC[C@@H](c....
180 2IPG - FFA C19 H28 O2 C[C@]12CC[....
181 2P5N - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
182 3WG6 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
183 5Z6T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
184 3H7U Kd = 163 nM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
185 5AZ1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
186 1XJB Kd = 0.88 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
187 2HDJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
188 4L1W - STR C21 H30 O2 CC(=O)[C@H....
189 4L1X - STR C21 H30 O2 CC(=O)[C@H....
190 1J96 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
191 4XO7 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
192 3NTY Ki = 0.86 nM 5P3 C13 H9 Cl O3 c1ccc(cc1)....
193 4XO6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
194 1MRQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
195 3C3U Ki = 5.9 nM C2U C7 H4 Cl2 O3 c1c(cc(c(c....
196 2IPJ - FFA C19 H28 O2 C[C@]12CC[....
197 4ICC ic50 = 1 uM 64I C12 H2 F8 O2 c1(c(c(c(c....
198 4GAB ic50 = 33 uM FID C12 H10 F N3 O4 c1cc2c(cc1....
199 5M2F ic50 = 6.1 uM UV8 C24 H27 Br O2 CC(=Cc1ccc....
200 5LIX - MK4 C16 H11 Br3 Cl N O4 c1cc(c(cc1....
201 5LIY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
202 4JIH ic50 = 0.33 uM EPR C15 H13 N O3 S2 C/C(=Cc1cc....
203 4XZN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
204 5LIU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
205 4GQG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
206 4I5X ic50 = 0.76 uM FLF C14 H10 F3 N O2 c1ccc(c(c1....
207 1ZUA ic50 = 10 nM TOL C16 H14 F3 N O3 S CN(CC(=O)O....
208 4XZM - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
209 5LIW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
210 4JII ic50 = 0.62 uM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
211 4WEV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
212 4XZL - F49 C14 H10 Br4 N2 O5 COc1c(c(c(....
213 5LIK - W8X C16 H13 Br Cl N O4 c1cc(ccc1C....
214 3QKZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
215 3O3R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
216 1Q5M - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
217 1Q13 - TES C19 H28 O2 C[C@]12CC[....
218 1AH3 - TOL C16 H14 F3 N O3 S CN(CC(=O)O....
219 1AH4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
220 1EKO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
221 1AH0 - SBI C11 H9 F N2 O3 c1cc2c(cc1....
222 2BGS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
223 2VDG - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
224 1ZGD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
225 5JH2 - A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
226 4IJR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
227 4H8N - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
228 3H7R Kd = 584 nM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
229 1VBJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
230 5ZCM - NDP DTT n/a n/a
231 1VP5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
232 3WCZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
233 1A80 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
234 1M9H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
235 1HQT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
236 3H4G ic50 = 2.5 uM FID C12 H10 F N3 O4 c1cc2c(cc1....
237 3CV7 Ki = 5.9 nM C2U C7 H4 Cl2 O3 c1c(cc(c(c....
238 1CWN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
239 1AE4 Ki = 3 uM TOL C16 H14 F3 N O3 S CN(CC(=O)O....
240 4OTK - MLI C3 H2 O4 C(C(=O)[O-....
241 1C9W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
242 1FRB Kd = 30 nM ZST C19 H12 F3 N3 O3 S c1ccc2c(c1....
243 1AFS - TES C19 H28 O2 C[C@]12CC[....
244 3KRB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAP; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 NAD IBO 0.716667 0.972222
8 NAD TDB 0.716667 0.972222
9 A3D 0.712 0.972603
10 NBP 0.707692 0.935065
11 NHD 0.68254 0.958904
12 NJP 0.661417 0.972973
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 AMP NAD 0.606061 0.958904
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 NAJ 0.567164 0.986111
23 A2R 0.563025 0.932432
24 NDC 0.561644 0.922078
25 NA7 0.552846 0.907895
26 ODP 0.551471 0.935065
27 A2P 0.539823 0.930556
28 8ID 0.537313 0.910256
29 NAD BBN 0.525974 0.865854
30 NPW 0.525547 0.8875
31 NZQ 0.521739 0.910256
32 CNA 0.521739 0.959459
33 NAD CJ3 0.519231 0.835294
34 NDP 0.514493 0.922078
35 PO4 PO4 A A A A PO4 0.503937 0.930556
36 1DG 0.503401 0.922078
37 DG1 0.503401 0.922078
38 TXP 0.5 0.922078
39 NMN AMP PO4 0.492958 0.921053
40 XNP 0.492958 0.875
41 25L 0.492308 0.958904
42 25A 0.492063 0.972222
43 NAD NDT 0.490909 0.747368
44 NMN 0.486726 0.888889
45 NGD 0.485714 0.935065
46 9JJ 0.481707 0.8875
47 2AM 0.477876 0.891892
48 NDP DTT 0.461538 0.843373
49 ADP 0.458333 0.945205
50 ADP MG 0.454545 0.944444
51 ADP BEF 0.454545 0.944444
52 A7R 0.452555 0.846154
53 PAP 0.451613 0.931507
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 7L1 0.441558 0.777778
57 ADP PO3 0.44 0.944444
58 AGS 0.44 0.896104
59 ATP MG 0.44 0.944444
60 M33 0.439024 0.906667
61 AR6 AR6 0.438849 0.945205
62 BA3 0.438017 0.945205
63 VO4 ADP 0.4375 0.945946
64 BEF ADP 0.436508 0.918919
65 OAD 0.43609 0.92
66 ADP BMA 0.43609 0.92
67 DQV 0.435714 0.958904
68 HEJ 0.435484 0.945205
69 ATP 0.435484 0.945205
70 OOB 0.435115 0.958904
71 AP5 0.434426 0.945205
72 B4P 0.434426 0.945205
73 GAP 0.433071 0.92
74 0WD 0.432432 0.922078
75 5FA 0.432 0.945205
76 2A5 0.432 0.87013
77 AQP 0.432 0.945205
78 AT4 0.430894 0.907895
79 HQG 0.430769 0.932432
80 00A 0.428571 0.909091
81 8LQ 0.427481 0.907895
82 DAL AMP 0.427481 0.932432
83 CA0 0.427419 0.92
84 ANP MG 0.426357 0.932432
85 ALF ADP 0.426357 0.871795
86 9X8 0.425373 0.871795
87 KG4 0.424 0.92
88 ACP 0.424 0.92
89 NAJ PZO 0.423841 0.897436
90 9SN 0.423358 0.897436
91 WAQ 0.422222 0.884615
92 ACQ 0.421875 0.92
93 V3L 0.421875 0.945205
94 ADQ 0.421053 0.92
95 AR6 0.420635 0.918919
96 APR 0.420635 0.918919
97 ATP A 0.42029 0.958333
98 ATP A A A 0.42029 0.958333
99 CO7 0.419753 0.786517
100 3OD 0.419118 0.92
101 1ZZ 0.419118 0.841463
102 DLL 0.41791 0.958904
103 AD9 0.417323 0.92
104 OVE 0.416667 0.857143
105 NAX 0.416667 0.875
106 QA7 0.416667 0.896104
107 MYR AMP 0.416058 0.841463
108 AV2 0.415385 0.868421
109 A3P 0.414634 0.944444
110 NNR 0.414414 0.72973
111 ALF ADP 3PG 0.413793 0.8625
112 OMR 0.413793 0.831325
113 6YZ 0.412214 0.92
114 ANP 0.410853 0.92
115 A1R 0.410448 0.860759
116 45A 0.409836 0.893333
117 ABM 0.409836 0.893333
118 AMP 0.408333 0.944444
119 A 0.408333 0.944444
120 SON 0.408 0.933333
121 PPS 0.407692 0.829268
122 8LE 0.407692 0.896104
123 5AL 0.407692 0.932432
124 NAI 0.406897 0.909091
125 7D3 0.406504 0.857143
126 AMP MG 0.404959 0.930556
127 ADX 0.404762 0.829268
128 ATF 0.40458 0.907895
129 3UK 0.404412 0.945946
130 AMP DBH 0.404255 0.894737
131 139 0.402685 0.875
132 50T 0.401575 0.906667
133 8LH 0.401515 0.907895
134 SRP 0.401515 0.907895
135 B5V 0.40146 0.933333
136 3AM 0.4 0.90411
137 B5M 0.4 0.921053
138 A3R 0.4 0.860759
139 KMQ 0.4 0.883117
140 FA5 0.4 0.933333
Ligand no: 2; Ligand: OHP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OHP 1 1
2 JZ1 0.470588 0.625
3 2LP 0.410256 0.625
4 OMD 0.404762 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: NAP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 TXD 0.9146
2 6V0 0.9079
3 AP0 0.8967
4 TXE 0.8646
Ligand no: 2; Ligand: OHP; Similar ligands found: 893
No: Ligand Similarity coefficient
1 R9S 0.9838
2 1LN 0.9738
3 PZI 0.9696
4 PAC 0.9629
5 BSX 0.9558
6 QY9 0.9558
7 PRY 0.9537
8 JZ4 0.9529
9 I4B 0.9517
10 3HP 0.9491
11 261 0.9489
12 TZE 0.9486
13 SHA 0.9454
14 SMN 0.9426
15 PRZ 0.9425
16 4HP 0.9390
17 FP1 0.9381
18 2AL 0.9379
19 MUC 0.9378
20 S24 0.9377
21 NFM 0.9371
22 PEL 0.9364
23 3OC 0.9362
24 RMN 0.9359
25 92K 0.9359
26 TPA 0.9358
27 DHY 0.9358
28 PHU 0.9357
29 KP6 0.9351
30 2PG 0.9340
31 4JT 0.9339
32 GRO 0.9338
33 ASC 0.9334
34 AEG 0.9334
35 K7M 0.9328
36 271 0.9327
37 PEA 0.9326
38 4NC 0.9326
39 HQ9 0.9324
40 M4T 0.9324
41 T9G 0.9317
42 FB1 0.9315
43 FK8 0.9315
44 23J 0.9311
45 SPA 0.9311
46 DGL 0.9306
47 2IT 0.9306
48 ISD 0.9299
49 TSS 0.9296
50 YRL 0.9293
51 J0Z 0.9292
52 CXF 0.9290
53 2CL 0.9290
54 FBV 0.9290
55 HY1 0.9288
56 DOR 0.9287
57 PMF 0.9287
58 LDP 0.9287
59 HPS 0.9282
60 PRA 0.9281
61 51F 0.9281
62 LYL 0.9279
63 PO6 0.9279
64 0LH 0.9275
65 IAC 0.9274
66 1P3 0.9272
67 GLN 0.9269
68 CEE 0.9263
69 ICB 0.9263
70 IOM 0.9262
71 BCU 0.9262
72 NOJ 0.9259
73 RM1 0.9254
74 7N0 0.9253
75 NYL 0.9252
76 268 0.9249
77 4CS 0.9248
78 BNF 0.9248
79 AKG 0.9246
80 ORO 0.9246
81 6FZ 0.9245
82 N4B 0.9244
83 OAA 0.9240
84 NVU 0.9239
85 3QM 0.9238
86 IZC 0.9237
87 4FA 0.9233
88 HCI 0.9231
89 SYG 0.9231
90 KTA 0.9229
91 RBJ 0.9224
92 BE2 0.9222
93 PCA 0.9218
94 9RW 0.9217
95 IFL 0.9214
96 RSO 0.9210
97 8OZ 0.9203
98 GLU 0.9202
99 FA1 0.9196
100 DS0 0.9193
101 2HG 0.9188
102 SAL 0.9187
103 AEF 0.9186
104 K5W 0.9179
105 263 0.9174
106 2XX 0.9173
107 AHR 0.9171
108 NIZ 0.9168
109 EV0 0.9167
110 SYC 0.9165
111 B40 0.9163
112 B85 0.9159
113 URS 0.9158
114 LT1 0.9157
115 3U4 0.9156
116 I1E 0.9156
117 258 0.9154
118 MLT 0.9151
119 XX2 0.9150
120 SJ5 0.9150
121 JKE 0.9149
122 4NG 0.9149
123 0JD 0.9148
124 KOJ 0.9143
125 3SK 0.9142
126 AHN 0.9142
127 6JN 0.9140
128 173 0.9139
129 42J 0.9138
130 4SV 0.9137
131 6CS 0.9137
132 GLC 0.9136
133 286 0.9136
134 GTQ 0.9136
135 FA0 0.9136
136 DOB 0.9134
137 7WV 0.9132
138 P84 0.9129
139 52C 0.9128
140 J9Q 0.9128
141 VNJ 0.9128
142 GJZ 0.9127
143 HHA 0.9126
144 ISZ 0.9123
145 FBM 0.9122
146 ES6 0.9121
147 QMP 0.9119
148 FBT 0.9109
149 7WG 0.9108
150 4SX 0.9108
151 LCN 0.9105
152 NSP 0.9104
153 BHO 0.9101
154 SS1 0.9099
155 IFM 0.9099
156 3PG 0.9096
157 3FH 0.9096
158 JZ3 0.9096
159 3C4 0.9095
160 SWA 0.9094
161 24B 0.9092
162 PEP 0.9092
163 97T 0.9090
164 HC4 0.9090
165 M3H 0.9089
166 9KH 0.9089
167 IP0 0.9089
168 PMB 0.9088
169 F9P 0.9087
170 3AL 0.9086
171 HA5 0.9085
172 TSR 0.9083
173 4XV 0.9081
174 SVD 0.9081
175 NK 0.9078
176 CXP 0.9078
177 JFJ 0.9078
178 TYE 0.9078
179 FAN 0.9076
180 KBB 0.9076
181 MRZ 0.9076
182 3HA 0.9075
183 HHH 0.9074
184 DFB 0.9073
185 9TZ 0.9072
186 AFR 0.9071
187 FEH 0.9071
188 DHS 0.9070
189 3AB 0.9069
190 2TQ 0.9069
191 DBH 0.9067
192 G2F 0.9066
193 HHT 0.9066
194 FA3 0.9065
195 APG 0.9062
196 AOS 0.9062
197 BZ3 0.9061
198 EVA 0.9059
199 CFI 0.9059
200 AIN 0.9059
201 JBE 0.9058
202 HMU 0.9057
203 5OB 0.9055
204 Q9Z 0.9053
205 2C2 0.9053
206 DEE 0.9053
207 TAR 0.9053
208 ZZT 0.9051
209 HY3 0.9051
210 LMR 0.9049
211 XM0 0.9049
212 CFA 0.9047
213 R8A 0.9047
214 5HY 0.9046
215 6PC 0.9045
216 OXZ 0.9044
217 PBC 0.9043
218 ASO 0.9043
219 BEN 0.9043
220 FHB 0.9042
221 PAB 0.9042
222 PBA 0.9041
223 SPV 0.9040
224 DQA 0.9040
225 NOY 0.9040
226 TLA 0.9039
227 PHB 0.9039
228 PPY 0.9038
229 N2Z 0.9038
230 BEZ 0.9037
231 MQB 0.9034
232 3SL 0.9034
233 LNR 0.9033
234 GZL 0.9033
235 1DJ 0.9033
236 TIU 0.9033
237 2FY 0.9032
238 AS3 0.9032
239 PHE 0.9031
240 RIB 0.9030
241 MXN 0.9028
242 MNN 0.9027
243 PEZ 0.9027
244 TYL 0.9027
245 S2P 0.9027
246 HPP 0.9026
247 KMH 0.9026
248 BAM 0.9026
249 8EZ 0.9024
250 GYE 0.9024
251 LFC 0.9024
252 AHC 0.9024
253 DEW 0.9024
254 7A8 0.9023
255 YCP 0.9022
256 JZ7 0.9021
257 5XC 0.9020
258 3XX 0.9019
259 RNT 0.9019
260 MTL 0.9018
261 Z5P 0.9018
262 PPT 0.9017
263 FYU 0.9016
264 TH7 0.9016
265 7MK 0.9016
266 BNS 0.9016
267 3DO 0.9015
268 HMH 0.9014
269 5CU 0.9013
270 1AB 0.9013
271 57O 0.9012
272 DHB 0.9010
273 A29 0.9009
274 51R 0.9008
275 2HO 0.9006
276 AC6 0.9006
277 1WD 0.9006
278 NPO 0.9006
279 FB2 0.9003
280 GAB 0.9002
281 X0V 0.9002
282 NTN 0.9002
283 COI 0.9001
284 069 0.9001
285 4XS 0.9000
286 TEO 0.9000
287 AC0 0.9000
288 5RG 0.9000
289 QIC 0.8999
290 AZF 0.8999
291 BDP 0.8998
292 53C 0.8997
293 ICO 0.8997
294 NMJ 0.8996
295 15N 0.8995
296 SBK 0.8995
297 DHI 0.8993
298 PEQ 0.8992
299 ZON 0.8992
300 M58 0.8991
301 ASP 0.8991
302 HIS 0.8991
303 3HM 0.8991
304 NCA 0.8991
305 DHK 0.8990
306 BDF 0.8989
307 ODO 0.8989
308 INO 0.8987
309 XCZ 0.8987
310 3NT 0.8986
311 1F1 0.8984
312 P72 0.8984
313 COU 0.8984
314 QUS 0.8984
315 BHA 0.8983
316 DMJ 0.8983
317 MYJ 0.8982
318 IPB 0.8982
319 MR1 0.8980
320 GWM 0.8980
321 SNE 0.8979
322 P58 0.8979
323 DGJ 0.8979
324 RNS 0.8978
325 IFP 0.8978
326 XAN 0.8978
327 49F 0.8977
328 HBA 0.8976
329 SW7 0.8976
330 SOE 0.8976
331 54G 0.8975
332 R2B 0.8975
333 EYK 0.8975
334 FCR 0.8975
335 4M0 0.8973
336 FBW 0.8973
337 NNO 0.8970
338 93K 0.8970
339 PBZ 0.8969
340 JLZ 0.8969
341 HBD 0.8969
342 RHU 0.8967
343 3NY 0.8965
344 BPW 0.8964
345 SEP 0.8964
346 0R0 0.8963
347 GLL 0.8963
348 LRH 0.8963
349 PPR 0.8962
350 DBX 0.8960
351 SKM 0.8960
352 XLS 0.8959
353 CLU 0.8959
354 OTR 0.8959
355 CRN 0.8959
356 P9P 0.8958
357 6NT 0.8957
358 5NU 0.8956
359 5RN 0.8955
360 61M 0.8955
361 4A3 0.8954
362 I3A 0.8953
363 VGL 0.8953
364 CN0 0.8953
365 3LR 0.8952
366 8U3 0.8952
367 717 0.8952
368 R9M 0.8951
369 CHB 0.8951
370 4RW 0.8951
371 NCT 0.8950
372 QM1 0.8950
373 C2Y 0.8949
374 5HN 0.8949
375 6M4 0.8949
376 SR1 0.8949
377 QSC 0.8949
378 J9T 0.8947
379 IOS 0.8946
380 03V 0.8945
381 NIO 0.8945
382 MS9 0.8944
383 HPT 0.8944
384 EKZ 0.8943
385 JB5 0.8942
386 ARW 0.8942
387 AMQ 0.8941
388 IF7 0.8941
389 EHM 0.8940
390 BGC 0.8940
391 3F0 0.8940
392 8GC 0.8939
393 SRT 0.8938
394 M2K 0.8938
395 IHB 0.8938
396 ES5 0.8937
397 6DP 0.8935
398 K2P 0.8934
399 1Y6 0.8932
400 4PN 0.8930
401 9BF 0.8930
402 CMS 0.8929
403 4FS 0.8929
404 PZA 0.8928
405 6LW 0.8928
406 4AA 0.8928
407 DPN 0.8927
408 HDH 0.8927
409 HFA 0.8926
410 TSU 0.8926
411 SRO 0.8926
412 5M0 0.8926
413 NAG 0.8925
414 GGL 0.8924
415 HF2 0.8924
416 URP 0.8924
417 3HB 0.8923
418 7C3 0.8923
419 UNU 0.8922
420 GCB 0.8921
421 DHR 0.8920
422 IT9 0.8920
423 EA1 0.8919
424 264 0.8917
425 XUL 0.8916
426 SAN 0.8915
427 TRC 0.8915
428 NGO 0.8913
429 5MK 0.8913
430 FRU 0.8912
431 GCU 0.8910
432 449 0.8909
433 OGA 0.8908
434 2AQ 0.8908
435 E7Z 0.8908
436 OCH 0.8906
437 3M0 0.8906
438 ICF 0.8906
439 9TW 0.8905
440 9R5 0.8905
441 HYA 0.8904
442 CTS 0.8904
443 ONR 0.8903
444 X1P 0.8903
445 IOP 0.8903
446 AAS 0.8902
447 B2J 0.8902
448 PBN 0.8902
449 PYJ 0.8901
450 45L 0.8899
451 HYP 0.8899
452 MAN 0.8898
453 GDE 0.8898
454 MED 0.8898
455 HL4 0.8897
456 4P5 0.8897
457 GAL 0.8896
458 9X7 0.8894
459 5AC 0.8893
460 FUD 0.8893
461 ORN 0.8893
462 SS2 0.8890
463 0HN 0.8890
464 C2A 0.8890
465 NCD 0.8890
466 FBA 0.8889
467 ABN 0.8889
468 82I 0.8889
469 505 0.8888
470 NBZ 0.8888
471 42A 0.8887
472 NGT 0.8886
473 OVV 0.8886
474 J9W 0.8885
475 Q88 0.8885
476 GZQ 0.8884
477 EDG 0.8884
478 WCE 0.8884
479 12M 0.8881
480 QSB 0.8880
481 NLA 0.8880
482 SC2 0.8877
483 UY7 0.8876
484 FBS 0.8874
485 CWS 0.8874
486 6F0 0.8874
487 2F6 0.8873
488 4MA 0.8873
489 HIO 0.8872
490 60P 0.8871
491 XYL 0.8870
492 RB5 0.8870
493 CIT 0.8870
494 BZX 0.8869
495 6M9 0.8868
496 LZM 0.8868
497 XQI 0.8867
498 MNM 0.8867
499 7HQ 0.8866
500 SYN 0.8866
501 3BU 0.8864
502 OK7 0.8863
503 14O 0.8863
504 0HO 0.8863
505 LNO 0.8861
506 3HG 0.8861
507 XYH 0.8860
508 AMS 0.8860
509 F81 0.8860
510 Q6T 0.8859
511 2ZM 0.8859
512 I38 0.8859
513 8ZE 0.8859
514 GZ3 0.8857
515 9RH 0.8857
516 ROR 0.8857
517 IPZ 0.8855
518 FLC 0.8855
519 5H1 0.8854
520 ZXD 0.8853
521 GCO 0.8853
522 LGC 0.8853
523 OEM 0.8853
524 AGK 0.8852
525 F60 0.8852
526 S8V 0.8851
527 L99 0.8850
528 FPI 0.8849
529 4P0 0.8849
530 HA7 0.8849
531 SX1 0.8848
532 RBL 0.8846
533 4ME 0.8845
534 4J8 0.8845
535 UGC 0.8845
536 KBG 0.8845
537 D1X 0.8844
538 ASN 0.8843
539 GIF 0.8843
540 8XL 0.8842
541 2HU 0.8841
542 5MB 0.8841
543 WOO 0.8840
544 GUN 0.8840
545 260 0.8840
546 GLO 0.8838
547 7Q1 0.8838
548 9DG 0.8838
549 AH8 0.8837
550 3PF 0.8837
551 TAG 0.8837
552 92P 0.8836
553 HSM 0.8836
554 BMA 0.8836
555 JZ5 0.8835
556 6NI 0.8834
557 4VP 0.8834
558 5MI 0.8834
559 2LY 0.8834
560 M1A 0.8834
561 PIM 0.8833
562 G4D 0.8833
563 N2I 0.8832
564 5NI 0.8830
565 826 0.8830
566 LAO 0.8830
567 2K4 0.8830
568 EDR 0.8828
569 MES 0.8828
570 NLE 0.8828
571 APY 0.8827
572 B24 0.8826
573 2BG 0.8826
574 0P6 0.8826
575 R1X 0.8825
576 1WC 0.8825
577 9CL 0.8824
578 2DR 0.8824
579 GLF 0.8824
580 SDF 0.8824
581 0F9 0.8823
582 X09 0.8822
583 GAG 0.8822
584 ALL 0.8820
585 3A9 0.8820
586 URC 0.8820
587 A09 0.8819
588 6AI 0.8816
589 SOR 0.8816
590 NGW 0.8815
591 2D0 0.8814
592 HSO 0.8814
593 9PY 0.8813
594 4HC 0.8812
595 ABI 0.8812
596 4FH 0.8812
597 MZB 0.8811
598 GRE 0.8811
599 NBE 0.8809
600 4VY 0.8809
601 42C 0.8809
602 OXC 0.8808
603 HNL 0.8808
604 APS 0.8807
605 4JL 0.8807
606 HBX 0.8807
607 SVN 0.8806
608 GLY GLY 0.8806
609 7MU 0.8805
610 2FG 0.8804
611 1AL 0.8803
612 XIY 0.8803
613 IT2 0.8802
614 IPM 0.8801
615 H76 0.8800
616 3BZ 0.8800
617 DCO 0.8799
618 CDV 0.8799
619 GLA 0.8798
620 GCS 0.8798
621 Z82 0.8797
622 AZA 0.8796
623 6M1 0.8794
624 MET 0.8794
625 TRP 0.8794
626 4Z4 0.8793
627 PRO 0.8793
628 0V5 0.8792
629 Q03 0.8792
630 C5A 0.8792
631 ABV 0.8791
632 ES0 0.8791
633 2CO 0.8790
634 2EC 0.8790
635 69O 0.8790
636 A13 0.8789
637 MSN 0.8789
638 BRT 0.8789
639 L3Q 0.8789
640 SDD 0.8788
641 3Z8 0.8788
642 ES9 0.8787
643 G3F 0.8787
644 141 0.8785
645 PSV 0.8783
646 1M2 0.8783
647 AX7 0.8782
648 JAW 0.8782
649 F05 0.8781
650 TYR 0.8781
651 PA1 0.8781
652 F9Y 0.8780
653 1DV 0.8780
654 GT0 0.8779
655 GBD 0.8778
656 ADA 0.8777
657 X05 0.8777
658 DAL DAL 0.8777
659 JYD 0.8776
660 M6H 0.8776
661 C2B 0.8775
662 EOL 0.8775
663 3Z7 0.8775
664 XXG 0.8775
665 HXX 0.8774
666 3DM 0.8774
667 SHG 0.8773
668 8EW 0.8773
669 AZG 0.8772
670 8H8 0.8771
671 MO8 0.8771
672 15L 0.8771
673 1P7 0.8771
674 DTY 0.8771
675 FUB 0.8770
676 M1E 0.8766
677 56D 0.8765
678 FBU 0.8765
679 3ID 0.8765
680 67N 0.8764
681 5WZ 0.8764
682 AMC 0.8764
683 FOT 0.8763
684 TTL 0.8762
685 KMT 0.8761
686 948 0.8761
687 THE 0.8761
688 JXZ 0.8761
689 54Z 0.8757
690 OTD 0.8757
691 4XR 0.8756
692 LSA 0.8756
693 CTL 0.8755
694 NFA 0.8755
695 F31 0.8754
696 A2F 0.8753
697 40E 0.8752
698 VNL 0.8752
699 OA3 0.8751
700 YOF 0.8751
701 EPR 0.8749
702 PXM 0.8748
703 4ZA 0.8747
704 2H5 0.8746
705 NEQ 0.8744
706 AMH 0.8744
707 GXL 0.8743
708 HX3 0.8742
709 M1Q 0.8740
710 UFV 0.8740
711 OXQ 0.8740
712 AW5 0.8737
713 329 0.8736
714 M3Q 0.8736
715 23A 0.8735
716 AJ2 0.8735
717 BP9 0.8735
718 282 0.8735
719 GV9 0.8735
720 9MG 0.8734
721 M0W 0.8733
722 8WO 0.8731
723 V55 0.8730
724 KUF 0.8729
725 1MR 0.8728
726 XSP 0.8728
727 IJZ 0.8728
728 AKH 0.8728
729 OW4 0.8728
730 34D 0.8728
731 FBJ 0.8726
732 7VS 0.8726
733 UEG 0.8724
734 ZBT 0.8723
735 DAS 0.8723
736 TZL 0.8723
737 G5V 0.8722
738 N3W 0.8722
739 289 0.8722
740 9J3 0.8722
741 RLG 0.8722
742 ICT 0.8721
743 3IT 0.8720
744 OIA 0.8719
745 7D2 0.8717
746 SIN 0.8716
747 4WL 0.8714
748 SYV 0.8713
749 E4P 0.8712
750 X6X 0.8710
751 94B 0.8710
752 7NI 0.8709
753 EUG 0.8709
754 LT2 0.8709
755 CLT 0.8708
756 IGA 0.8708
757 MJ2 0.8705
758 5QX 0.8704
759 TZM 0.8704
760 UAN 0.8704
761 LPK 0.8702
762 TGX 0.8701
763 GVG 0.8700
764 7QS 0.8699
765 TIH 0.8698
766 OVM 0.8698
767 3MB 0.8698
768 DX4 0.8697
769 G3H 0.8697
770 GOO 0.8696
771 1SA 0.8696
772 4ZC 0.8695
773 3C7 0.8694
774 13P 0.8693
775 6AP 0.8691
776 HH5 0.8689
777 AX3 0.8688
778 149 0.8688
779 F1A 0.8688
780 NSG 0.8687
781 PE0 0.8687
782 F34 0.8686
783 8S0 0.8686
784 KDF 0.8684
785 GIV 0.8683
786 1LQ 0.8682
787 6VD 0.8682
788 DTR 0.8682
789 HCS 0.8679
790 2CK 0.8679
791 1GP 0.8678
792 DBJ 0.8677
793 ZZ3 0.8675
794 HSE 0.8675
795 091 0.8675
796 KYD 0.8673
797 KJU 0.8673
798 MWP 0.8673
799 F12 0.8671
800 44V 0.8671
801 N7P 0.8670
802 MZW 0.8670
803 SOL 0.8670
804 HQJ 0.8668
805 TPO 0.8668
806 AZ8 0.8665
807 JB8 0.8665
808 JDN 0.8664
809 PXL 0.8663
810 QSH 0.8662
811 1BN 0.8661
812 C2U 0.8661
813 GAF 0.8660
814 YIO 0.8660
815 PH3 0.8657
816 5RO 0.8656
817 9FL 0.8655
818 MBG 0.8654
819 LEU 0.8654
820 IMR 0.8653
821 NHG 0.8653
822 1FD 0.8652
823 95Z 0.8651
824 0W8 0.8650
825 SN4 0.8649
826 2A7 0.8649
827 32O 0.8647
828 JF6 0.8645
829 ES2 0.8643
830 PD2 0.8643
831 M74 0.8639
832 HPA 0.8638
833 6XI 0.8637
834 GTR 0.8636
835 8TX 0.8636
836 4JQ 0.8635
837 TTY 0.8633
838 4TU 0.8633
839 DIE 0.8632
840 5WY 0.8629
841 L5V 0.8628
842 5WX 0.8628
843 YH7 0.8626
844 1XA 0.8625
845 IDM 0.8624
846 FPK 0.8624
847 GXY 0.8623
848 790 0.8622
849 2AS 0.8622
850 EXR 0.8619
851 ESP 0.8618
852 MEW 0.8618
853 PDC 0.8617
854 Q24 0.8612
855 HQD 0.8612
856 A9P 0.8611
857 278 0.8611
858 JTH 0.8606
859 7ZE 0.8605
860 MMA 0.8605
861 8WT 0.8602
862 RPQ 0.8602
863 K34 0.8602
864 F0J 0.8601
865 0OC 0.8601
866 M5K 0.8599
867 TLM 0.8597
868 BZ2 0.8596
869 2ZQ 0.8596
870 ANN 0.8594
871 4OG 0.8592
872 5GU 0.8592
873 GP9 0.8592
874 DIU 0.8592
875 B53 0.8592
876 152 0.8592
877 DNF 0.8591
878 1SS 0.8591
879 F52 0.8589
880 B57 0.8586
881 ISA 0.8579
882 SIF 0.8575
883 7HP 0.8575
884 1XM 0.8574
885 8GK 0.8569
886 LYS 0.8568
887 2SX 0.8567
888 NDG 0.8558
889 MSR 0.8554
890 15E 0.8552
891 1P8 0.8541
892 1A7 0.8532
893 FQI 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MAR; Ligand: NAP; 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: 1mar.bio1) has 83 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MAR; Ligand: ZST; 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: 1mar.bio1) has 83 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback