Receptor
PDB id Resolution Class Description Source Keywords
2WPU 1.92 Å NON-ENZYME: BINDING CHAPERONED RUTHENIUM METALLODRUGS THAT RECOGNIZE TELOMERIC D STREPTOMYCES AVIDINII BIOTIN BINDING PROTEIN
Ref.: CHEMO-GENETIC OPTIMIZATION OF DNA RECOGNITION BY METALLODRUGS USING A PRESENTER-PROTEIN STRATEGY. CHEMISTRY V. 16 12883 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1136;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
KYT A:400;
Valid;
none;
Kd < 60 nM
598.187 C24 H39 Cl N5 O2 Ru S CC1=[...
SO4 A:1135;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WPU 1.92 Å NON-ENZYME: BINDING CHAPERONED RUTHENIUM METALLODRUGS THAT RECOGNIZE TELOMERIC D STREPTOMYCES AVIDINII BIOTIN BINDING PROTEIN
Ref.: CHEMO-GENETIC OPTIMIZATION OF DNA RECOGNITION BY METALLODRUGS USING A PRESENTER-PROTEIN STRATEGY. CHEMISTRY V. 16 12883 2010
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 2QCB - KYS C24 H31 Cl N5 O4 Ru S2 c1cc(ccc1N....
2 5IRA - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
3 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
4 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
5 6AUL - BTN C10 H16 N2 O3 S C1[C@H]2[C....
6 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
7 6ESU Ki = 249.3 mM 6IR C18 H27 N5 O4 S2 c1cc(ccc1N....
8 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
9 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
10 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
11 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
70% Homology Family (113)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 2G5L - FME ASP VAL GLU ALA TRP LEU n/a n/a
2 3WZO - ZOE C16 H27 N3 O5 S C1[C@H]2[C....
3 2RTM - IMI C10 H17 N3 O2 S C1[C@H]2[C....
4 4Y59 Kd = 5.8 uM T21 C14 H8 F3 N O2 c1cc(cc(c1....
5 1NQM - BTN C10 H16 N2 O3 S C1[C@H]2[C....
6 1VWQ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
7 1NC9 - IMI C10 H17 N3 O2 S C1[C@H]2[C....
8 2RTI - GLL C4 H6 N4 O2 C12C(NC(=O....
9 5B5G Kd = 5.6 uM 6FX C14 H10 N2 O4 COC(=O)c1c....
10 4Y5D Kd = 1.2 uM MT6 C15 H11 N O4 COC(=O)c1c....
11 1SRJ - NAB C17 H12 N2 O3 c1ccc2c(c1....
12 4CPF - LH3 C32 H34 N4 O6 S COC(=O)c1c....
13 1NDJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
14 2IZL Kd = 1 uM IMI C10 H17 N3 O2 S C1[C@H]2[C....
15 2RTJ - GLL C4 H6 N4 O2 C12C(NC(=O....
16 1SWR Kd = 0.12 uM BTN C10 H16 N2 O3 S C1[C@H]2[C....
17 1SWE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
18 1SRF - MTB C17 H18 N2 O3 CC(C)(C)c1....
19 1RXJ - BNI C16 H20 N4 O4 S c1cc(ccc1N....
20 1SWK Ka ~ 1000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
21 2RTR - IMI C10 H17 N3 O2 S C1[C@H]2[C....
22 4CPI - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
23 2RTD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
24 3WYQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
25 2RTK - GLL C4 H6 N4 O2 C12C(NC(=O....
26 1LCZ - BH7 C16 H27 N3 O4 S C1[C@H]2[C....
27 1SWN Ka ~ 1000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
28 1RST Kd = 37 uM ALA TRP ARG HIS PRO GLN PHE GLY GLY n/a n/a
29 2RTG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
30 1SLE Kd = 670 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
31 4CPE - LUV C31 H34 N4 O3 S c1ccc(cc1)....
32 2RTE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
33 3WZP - ZOF C16 H28 N4 O3 S [H]/N=C/1N....
34 1VWF Kd ~ 2200 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
35 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
36 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
37 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
38 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
39 6M9B - BTN C10 H16 N2 O3 S C1[C@H]2[C....
40 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
41 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
42 1STS Ki = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
43 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
44 1VWN Kd ~ 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
45 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
46 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
47 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
48 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
49 1SRG Ki = 5 uM MHB C14 H12 N2 O3 Cc1cc(ccc1....
50 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
51 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
52 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
53 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
54 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
55 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
56 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
57 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
58 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
59 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
60 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
61 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
62 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
63 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
64 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
65 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
66 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
67 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
68 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
69 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70 1SRI Ki = 0.83 uM DMB C15 H14 N2 O3 Cc1cc(cc(c....
71 1KL5 Kd = 1 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
72 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
73 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
74 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
75 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
76 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
77 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
78 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
79 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
80 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
81 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
82 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
83 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
84 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
85 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
86 1STR Ki = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
87 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
88 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
89 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
90 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
91 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
92 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
93 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
94 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
95 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
96 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
97 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
98 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
99 3WZQ Kd = 0.00000145 M ZOF C16 H28 N4 O3 S [H]/N=C/1N....
100 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
101 2QCB - KYS C24 H31 Cl N5 O4 Ru S2 c1cc(ccc1N....
102 5IRA - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
103 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
104 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
105 6AUL - BTN C10 H16 N2 O3 S C1[C@H]2[C....
106 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
107 6ESU Ki = 249.3 mM 6IR C18 H27 N5 O4 S2 c1cc(ccc1N....
108 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
109 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
110 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
111 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
112 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
113 4EKV Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (118)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 2G5L - FME ASP VAL GLU ALA TRP LEU n/a n/a
2 3WZO - ZOE C16 H27 N3 O5 S C1[C@H]2[C....
3 2RTM - IMI C10 H17 N3 O2 S C1[C@H]2[C....
4 4Y59 Kd = 5.8 uM T21 C14 H8 F3 N O2 c1cc(cc(c1....
5 1NQM - BTN C10 H16 N2 O3 S C1[C@H]2[C....
6 1VWQ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
7 1NC9 - IMI C10 H17 N3 O2 S C1[C@H]2[C....
8 2RTI - GLL C4 H6 N4 O2 C12C(NC(=O....
9 5B5G Kd = 5.6 uM 6FX C14 H10 N2 O4 COC(=O)c1c....
10 4Y5D Kd = 1.2 uM MT6 C15 H11 N O4 COC(=O)c1c....
11 1SRJ - NAB C17 H12 N2 O3 c1ccc2c(c1....
12 4CPF - LH3 C32 H34 N4 O6 S COC(=O)c1c....
13 1NDJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
14 2IZL Kd = 1 uM IMI C10 H17 N3 O2 S C1[C@H]2[C....
15 2RTJ - GLL C4 H6 N4 O2 C12C(NC(=O....
16 1SWR Kd = 0.12 uM BTN C10 H16 N2 O3 S C1[C@H]2[C....
17 1SWE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
18 1SRF - MTB C17 H18 N2 O3 CC(C)(C)c1....
19 1VWF Kd ~ 2200 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
20 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
21 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
22 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
23 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
24 6M9B - BTN C10 H16 N2 O3 S C1[C@H]2[C....
25 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
26 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
27 1STS Ki = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
28 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
29 1VWN Kd ~ 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
30 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
31 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
32 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
33 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
34 1SRG Ki = 5 uM MHB C14 H12 N2 O3 Cc1cc(ccc1....
35 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
36 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
37 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
38 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
39 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
40 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
41 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
42 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
43 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
44 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
45 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
46 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
47 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
48 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
49 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
50 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
51 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
52 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
53 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
54 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
55 1SRI Ki = 0.83 uM DMB C15 H14 N2 O3 Cc1cc(cc(c....
56 1KL5 Kd = 1 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
57 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
58 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
59 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
60 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
61 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
62 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
63 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
64 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
65 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
66 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
67 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
68 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
69 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
70 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
71 1STR Ki = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
72 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
73 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
74 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
75 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
76 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
77 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
78 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
79 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
80 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
81 4JNJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
82 2JGS Kd = 10 fM BTN C10 H16 N2 O3 S C1[C@H]2[C....
83 3SZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
84 3T2W Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
85 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
86 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
87 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
88 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
89 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
90 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
91 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
92 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
93 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
94 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
95 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
96 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
97 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
98 5IRW - D9P C26 H26 N2 O2 C[C@H]1[C@....
99 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
100 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
101 6AUL - BTN C10 H16 N2 O3 S C1[C@H]2[C....
102 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
103 6ESU Ki = 249.3 mM 6IR C18 H27 N5 O4 S2 c1cc(ccc1N....
104 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
105 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
106 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
107 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
108 2ZSC - BTN C10 H16 N2 O3 S C1[C@H]2[C....
109 3EW2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
110 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
111 4GGZ Kd = 0.066 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
112 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
113 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
114 4GDA - BTN C10 H16 N2 O3 S C1[C@H]2[C....
115 1SWG Kd = 43.9 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
116 4GD9 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
117 4BCS Kd = 103 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
118 4EKV Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KYT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KYT 1 1
2 0OD 0.401786 0.831461
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WPU; Ligand: KYT; 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: 2wpu.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WPU; Ligand: KYT; 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: 2wpu.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2WPU; Ligand: KYT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2wpu.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2WPU; Ligand: KYT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2wpu.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
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