Receptor
PDB id Resolution Class Description Source Keywords
5N99 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF STREPTAVIDIN WITH CYCLIC PEPTIDE NQPWQ STREPTOMYCES AVIDINII STREPTAVIDIN BIOTIN BINDING D-AMINO ACID STREPTAVIDIN CYCPEPTIDE COMPLEX BIOTIN BINDING PROTEIN
Ref.: STEPWISE EVOLUTION IMPROVES IDENTIFICATION OF DIVER PEPTIDES BINDING TO A PROTEIN TARGET. SCI REP V. 7 12116 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASN GLN DPR TRP GLN T:1;
H:1;
P:1;
F:1;
V:1;
N:1;
J:1;
C:1;
E:1;
X:1;
R:1;
L:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 Atoms found MORE than expected: % Diff = 1.104;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 Kd = 61.3 uM
656.721 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N99 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF STREPTAVIDIN WITH CYCLIC PEPTIDE NQPWQ STREPTOMYCES AVIDINII STREPTAVIDIN BIOTIN BINDING D-AMINO ACID STREPTAVIDIN CYCPEPTIDE COMPLEX BIOTIN BINDING PROTEIN
Ref.: STEPWISE EVOLUTION IMPROVES IDENTIFICATION OF DIVER PEPTIDES BINDING TO A PROTEIN TARGET. SCI REP V. 7 12116 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
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 (123)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 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 1SLE Kd = 670 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
20 4CPE - LUV C31 H34 N4 O3 S c1ccc(cc1)....
21 2RTE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
22 3WZP - ZOF C16 H28 N4 O3 S [H]/N=C/1N....
23 1VWF Kd = 2200 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
24 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
25 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
26 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
27 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
28 6M9B - BTN C10 H16 N2 O3 S C1[C@H]2[C....
29 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
30 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
31 1STS Kd = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
32 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
33 1VWN Kd = 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
34 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
35 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
36 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
37 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
38 1SRG Ka = 200000 M^-1 MHB C14 H12 N2 O3 Cc1cc(ccc1....
39 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
40 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
41 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
42 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
43 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
44 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
45 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
46 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
47 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
48 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
49 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
50 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
51 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
52 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
53 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
54 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
55 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
56 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
57 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
58 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
59 1SRI Ka = 1200000 M^-1 DMB C15 H14 N2 O3 Cc1cc(cc(c....
60 1KL5 Kd = 1.02 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
61 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
62 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
63 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
64 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
65 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
66 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
67 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
68 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
69 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
71 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
72 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
73 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
74 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
75 1STR Kd = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
76 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
77 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
78 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
79 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
80 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
81 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
82 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
83 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
84 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
85 4JNJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
86 2JGS Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
87 3SZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
88 3T2W Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
89 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
90 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
91 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
92 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
93 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
94 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
95 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
96 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
97 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
98 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
99 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
100 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
101 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
102 5IRW - D9P C26 H26 N2 O2 C[C@H]1[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 6VJL Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
112 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
113 2ZSC - BTN C10 H16 N2 O3 S C1[C@H]2[C....
114 3EW2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
115 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
116 4GGZ Kd = 0.066 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
117 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
118 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
119 4GDA - BTN C10 H16 N2 O3 S C1[C@H]2[C....
120 1SWG Kd = 43.9 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
121 4GD9 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
122 4BCS Kd = 103 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
123 4EKV Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASN GLN DPR TRP GLN; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 ASN GLN DPR TRP GLN 1 1
2 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.614379 0.859375
3 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.608696 0.787879
4 MET TRP ARG PRO TRP 0.561151 0.73913
5 TRP PRO TRP 0.552632 0.862069
6 GLY SER ASP PRO TRP LYS 0.525926 0.870968
7 ASN ASP TRP LEU LEU PRO SER TYR 0.51634 0.785714
8 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.513158 0.868852
9 MET TYR TRP TYR PRO TYR 0.510638 0.75
10 ALA VAL PRO TRP 0.504065 0.85
11 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.496403 0.83871
12 PHE SER ASP PRO TRP GLY GLY 0.486301 0.857143
13 MDL 0.484375 0.727273
14 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.470588 0.75
15 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.470238 0.779412
16 SER PRO LEU ASP SER LEU TRP TRP ILE 0.469799 0.794118
17 SER TRP PHE PRO 0.469231 0.854839
18 ALA PRO ALA TRP LEU PHE GLU ALA 0.467105 0.825397
19 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.467066 0.797101
20 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.464286 0.757143
21 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.461039 0.84127
22 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.453416 0.833333
23 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.452381 0.80303
24 TRP GLU TYR ILE PRO ASN VAL 0.449367 0.820895
25 ASP TRP ASN 0.444444 0.724138
26 ALA TRP VAL ILE PRO ALA 0.443609 0.836066
27 MET HIS PRO ALA GLN THR SER GLN TRP 0.440476 0.774648
28 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.439759 0.797101
29 ARG PHE PRO LEU THR PHE GLY TRP 0.437126 0.75
30 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.436709 0.833333
31 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.436464 0.72
32 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.433526 0.736111
33 ARG TYR PRO LEU THR PHE GLY TRP 0.427746 0.72973
34 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.426966 0.710526
35 ACE TRP ARG VAL PRO 0.425532 0.75
36 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.42515 0.820895
37 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.42236 0.753425
38 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.420732 0.833333
39 ILE SER PRO ARG THR LEU ASP ALA TRP 0.41954 0.72973
40 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.417266 0.868852
41 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.416149 0.825397
42 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.415094 0.873016
43 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.414634 0.808824
44 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.414201 0.873016
45 PCA GLN TRP 0.412698 0.741379
46 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.411429 0.743243
47 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.406667 0.764706
48 ACE PRO TRP ALA THR CYS ASP SER NH2 0.406452 0.794118
49 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.40625 0.776119
50 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.405556 0.72973
51 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.404908 0.825397
52 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.4 0.710526
Similar Ligands (3D)
Ligand no: 1; Ligand: ASN GLN DPR TRP GLN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback