Receptor
PDB id Resolution Class Description Source Keywords
1SWK 2 Å NON-ENZYME: BINDING CORE-STREPTAVIDIN MUTANT W79F IN COMPLEX WITH BIOTIN AT PH 4.5 STREPTOMYCES AVIDINII BIOTIN-BINDING PROTEIN
Ref.: STRUCTURAL STUDIES OF BINDING SITE TRYPTOPHAN MUTANTS IN THE HIGH-AFFINITY STREPTAVIDIN-BIOTIN COMPLEX. J.MOL.BIOL. V. 279 211 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN A:5100;
B:5200;
D:5400;
Valid;
Valid;
Valid;
none;
none;
none;
Ka = 100000000000000 M^-1
244.311 C10 H16 N2 O3 S C1[C@...
BTQ C:5300;
Valid;
none;
Ka = 100000000000000 M^-1
244.311 C10 H16 N2 O3 S C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6VJK 1.6 Å NON-ENZYME: BINDING STREPTAVIDIN MUTANT M88 (N49C/A86C) STREPTOMYCES AVIDINII BIOTIN-BINDING PROTEIN ANTIMICROBIAL PROTEIN
Ref.: ENGINEERING A DISULFIDE-GATED SWITCH IN STREPTAVIDI REVERSIBLE BINDING WITHOUT SACRIFICING BINDING AFFI SCI REP V. 10 12483 2020
Members (96)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 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 = 100000000000000 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 6VJK Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
28 1SWN Ka = 100000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
29 1RST Kd = 37 uM ALA TRP ARG HIS PRO GLN PHE GLY GLY n/a n/a
30 2RTG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
31 1SLE Kd = 670 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
32 4CPE - LUV C31 H34 N4 O3 S c1ccc(cc1)....
33 2RTE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
34 3WZP - ZOF C16 H28 N4 O3 S [H]/N=C/1N....
35 1VWF Kd = 2200 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
36 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
37 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
38 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
39 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
40 6M9B - BTN C10 H16 N2 O3 S C1[C@H]2[C....
41 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
42 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
43 1STS Kd = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
44 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
45 1VWN Kd = 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
46 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
47 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
48 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
49 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
50 1SRG Ka = 200000 M^-1 MHB C14 H12 N2 O3 Cc1cc(ccc1....
51 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
52 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
53 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
54 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
55 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
56 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
57 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
58 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
59 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
60 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
61 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
62 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
63 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
64 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
65 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
66 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
67 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
68 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
69 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
71 1SRI Ka = 1200000 M^-1 DMB C15 H14 N2 O3 Cc1cc(cc(c....
72 1KL5 Kd = 1.02 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
73 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
74 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
75 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
76 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
77 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
78 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
79 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
80 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
81 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
82 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
83 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
84 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
85 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
86 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
87 1STR Kd = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
88 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
89 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
90 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
91 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
92 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
93 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
94 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
95 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
96 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
70% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 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 = 100000000000000 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 6VJK Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
28 1SWN Ka = 100000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
29 1RST Kd = 37 uM ALA TRP ARG HIS PRO GLN PHE GLY GLY n/a n/a
30 2RTG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
31 1SLE Kd = 670 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
32 4CPE - LUV C31 H34 N4 O3 S c1ccc(cc1)....
33 2RTE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
34 3WZP - ZOF C16 H28 N4 O3 S [H]/N=C/1N....
35 1VWF Kd = 2200 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
36 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
37 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
38 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
39 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
40 6M9B - BTN C10 H16 N2 O3 S C1[C@H]2[C....
41 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
42 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
43 1STS Kd = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
44 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
45 1VWN Kd = 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
46 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
47 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
48 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
49 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
50 1SRG Ka = 200000 M^-1 MHB C14 H12 N2 O3 Cc1cc(ccc1....
51 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
52 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
53 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
54 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
55 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
56 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
57 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
58 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
59 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
60 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
61 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
62 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
63 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
64 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
65 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
66 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
67 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
68 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
69 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
71 1SRI Ka = 1200000 M^-1 DMB C15 H14 N2 O3 Cc1cc(cc(c....
72 1KL5 Kd = 1.02 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
73 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
74 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
75 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
76 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
77 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
78 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
79 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
80 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
81 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
82 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
83 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
84 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
85 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
86 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
87 1STR Kd = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
88 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
89 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
90 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
91 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
92 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
93 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
94 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
95 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
96 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
97 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
98 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
99 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
100 3WZQ Kd = 0.000000064 M ZOF C16 H28 N4 O3 S [H]/N=C/1N....
101 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
102 2QCB - KYS C24 H31 Cl N5 O4 Ru S2 c1cc(ccc1N....
103 5IRA - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
104 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
105 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
106 6AUL - BTN C10 H16 N2 O3 S C1[C@H]2[C....
107 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
108 6ESU Ki = 249.3 mM 6IR C18 H27 N5 O4 S2 c1cc(ccc1N....
109 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
110 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
111 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
112 6VJL Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
113 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
114 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
115 4EKV Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1RXJ - BNI C16 H20 N4 O4 S c1cc(ccc1N....
2 1SWK Ka = 100000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 2RTR - IMI C10 H17 N3 O2 S C1[C@H]2[C....
4 4CPI - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
5 2RTD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
6 3WYQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
7 2RTK - GLL C4 H6 N4 O2 C12C(NC(=O....
8 1LCZ - BH7 C16 H27 N3 O4 S C1[C@H]2[C....
9 6VJK Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
10 1SWN Ka = 100000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
11 1RST Kd = 37 uM ALA TRP ARG HIS PRO GLN PHE GLY GLY n/a n/a
12 2RTG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
13 1Y55 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
14 1Y52 Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
15 2FHN - BNI C16 H20 N4 O4 S c1cc(ccc1N....
16 1WBI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
17 3WZQ Kd = 0.000000064 M ZOF C16 H28 N4 O3 S [H]/N=C/1N....
18 3VHH Ka = 400000000 M^-1 VHH C12 H20 N2 O3 S CN1[C@H]2C....
19 2A5B Kd = 117 uM 8HG C10 H13 N5 O5 C1[C@@H]([....
20 3VHM Ka = 15000 M^-1 NPK C20 H23 N3 O9 S C[C@H](c1c....
21 5IRU - B9P C26 H24 N2 O2 S c1cc2ccc3c....
22 1LDO - SNR C9 H14 N2 O3 S C1[C@H]2[C....
23 2QCB - KYS C24 H31 Cl N5 O4 Ru S2 c1cc(ccc1N....
24 5IRA - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
25 2C1S - BSO C10 H16 N2 O4 S C1[C@H]2[C....
26 2C1Q Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
27 4BJ8 Kd = 5.13 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTQ 1 1
2 BTN 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 41M 0.554054 0.830189
11 BNI 0.554054 0.656716
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Ligand no: 2; Ligand: BTQ; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTQ 1 1
2 BTN 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 41M 0.554054 0.830189
11 BNI 0.554054 0.656716
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Similar Ligands (3D)
Ligand no: 1; Ligand: BTN; Similar ligands found: 72
No: Ligand Similarity coefficient
1 DTB 0.9754
2 VHH 0.9565
3 D8I 0.9028
4 0V7 0.8997
5 IJ1 0.8987
6 NRG 0.8966
7 ZIP 0.8953
8 WA2 0.8941
9 IPL 0.8935
10 JKK 0.8927
11 ZEA 0.8903
12 0V8 0.8900
13 IJ4 0.8892
14 G30 0.8875
15 KWK 0.8862
16 0OP 0.8849
17 ZEZ 0.8848
18 8BD 0.8846
19 G3M 0.8838
20 7HV 0.8833
21 ZYC 0.8822
22 P1J 0.8789
23 SN0 0.8787
24 0QA 0.8784
25 ALY 0.8775
26 12R 0.8773
27 QUB 0.8767
28 3IP 0.8755
29 4TX 0.8753
30 F91 0.8752
31 1KJ 0.8743
32 250 0.8734
33 0XR 0.8733
34 FY8 0.8727
35 4Z0 0.8725
36 3KJ 0.8721
37 3D3 0.8707
38 ASE 0.8702
39 HRG 0.8701
40 JCQ 0.8700
41 STL 0.8699
42 RE2 0.8692
43 8CV 0.8680
44 CWL 0.8678
45 IBP 0.8673
46 DNN 0.8673
47 EMU 0.8670
48 H35 0.8670
49 IJ6 0.8661
50 N18 0.8650
51 FSA 0.8636
52 ZE7 0.8634
53 HL6 0.8632
54 KHP 0.8624
55 KAP 0.8623
56 C4E 0.8621
57 VIO 0.8620
58 5ER 0.8616
59 1UA 0.8613
60 DP6 0.8609
61 LVP 0.8609
62 HPK 0.8604
63 D53 0.8600
64 4U7 0.8589
65 FTK 0.8582
66 EXY 0.8578
67 11X 0.8578
68 TG6 0.8555
69 2M7 0.8554
70 49Z 0.8540
71 ML1 0.8532
72 YIP 0.8528
Ligand no: 2; Ligand: BTQ; Similar ligands found: 42
No: Ligand Similarity coefficient
1 DTB 0.9695
2 VHH 0.9312
3 2KU 0.8980
4 IPL 0.8951
5 WA2 0.8919
6 ZEZ 0.8889
7 C9M 0.8879
8 ZIP 0.8856
9 NRG 0.8855
10 IJ1 0.8854
11 0V7 0.8853
12 RDV 0.8846
13 3IB 0.8835
14 QUB 0.8830
15 D8I 0.8804
16 KWK 0.8798
17 JKK 0.8794
18 4KJ 0.8789
19 UN4 0.8768
20 00G 0.8763
21 0V8 0.8761
22 0XR 0.8760
23 JBB 0.8750
24 4TX 0.8739
25 0RY 0.8727
26 IAG 0.8713
27 5ER 0.8712
28 FIP 0.8706
29 ALJ 0.8706
30 JON 0.8700
31 FTK 0.8664
32 5HG 0.8656
33 0OP 0.8655
34 G30 0.8646
35 0QA 0.8641
36 IJ4 0.8628
37 ZYC 0.8621
38 7HV 0.8589
39 F91 0.8558
40 GOE 0.8543
41 IJ6 0.8520
42 IGP 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6VJK; Ligand: BTN; 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: 6vjk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6VJK; Ligand: BTN; 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: 6vjk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6VJK; Ligand: BTN; 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: 6vjk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6VJK; Ligand: BTN; 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: 6vjk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6vjk.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6vjk.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6vjk.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6vjk.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6vjk.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6vjk.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6vjk.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6VJK; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 6vjk.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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