Receptor
PDB id Resolution Class Description Source Keywords
2C1Q 2.1 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF BIOTIN BINDING PROTEIN FROM CHICKEN GALLUS GALLUS BIOTIN BINDING PROTEIN
Ref.: STRUCTURE AND CHARACTERIZATION OF A NOVEL CHICKEN BIOTIN-BINDING PROTEIN A (BBP-A). BMC STRUCT.BIOL. V. 7 8 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN A:1126;
Valid;
none;
Kd ~ 0.1 pM
244.311 C10 H16 N2 O3 S C1[C@...
GOL A:1127;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C1Q 2.1 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF BIOTIN BINDING PROTEIN FROM CHICKEN GALLUS GALLUS BIOTIN BINDING PROTEIN
Ref.: STRUCTURE AND CHARACTERIZATION OF A NOVEL CHICKEN BIOTIN-BINDING PROTEIN A (BBP-A). BMC STRUCT.BIOL. V. 7 8 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2C1S - BSO C10 H16 N2 O4 S C1[C@H]2[C....
2 2C1Q Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1Y55 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 1Y52 Kd = 0.000000064 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 2FHN - BNI C16 H20 N4 O4 S c1cc(ccc1N....
4 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
5 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
6 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
7 1WBI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
8 3VHH Ka = 400000000 M^-1 VHH C12 H20 N2 O3 S CN1[C@H]2C....
9 2A5B Kd = 117 uM 8HG C10 H13 N5 O5 C1[C@@H]([....
10 3VHM Ka = 15000 M^-1 NPK C20 H23 N3 O9 S C[C@H](c1c....
11 5IRU - B9P C26 H24 N2 O2 S c1cc2ccc3c....
12 1LDO - SNR C9 H14 N2 O3 S C1[C@H]2[C....
13 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
14 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
15 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
16 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
17 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
18 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
19 5IRW - D9P C26 H26 N2 O2 C[C@H]1[C@....
20 2C1S - BSO C10 H16 N2 O4 S C1[C@H]2[C....
21 2C1Q Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
22 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
23 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
24 4BCS Kd = 103 nM 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
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C1Q; 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: 2c1q.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2C1Q; 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: 2c1q.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2C1Q; 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: 2c1q.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2C1Q; 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: 2c1q.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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