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BioLiP
Download all results in tab-seperated text for 33 receptor-ligand interactions, whose format is explained at readme.txt.
  • Hover over PDB to view the title of the structure. Click PDB to view the structure at the RCSB PDB database. Resolution -1.00 means the resolution is unavailable, e.g., for NMR structures.
  • Click Site # to view the binding site structure. Hover over Site # to view the binding residues.
  • Hover over Ligand to view the full ligand name. Click Ligand to view the 2D diagram and other detail information of the ligand.
  • Hover over EC number to view the full name of enzymatic activity.
  • Hover over GO terms to view all GO terms.
  • Hover over UniProt to view the protein name.

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    # PDB
    (Resolution Å)     		Site # Ligand EC number GO terms UniProt PubMed Binding
    affinity
    1 1c3s:A (2.5) BS02 SHH ? GO:0004407 ... O67135 10490031
    2 1t69:A (2.91) BS02 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 15242608 PDBbind: -logKd/Ki=6.32, Ki=0.48uM
    BindingDB: IC50=243nM, Ki=480nM, Kd=1.2e+3nM
    3 1zz1:A (1.57) BS02 SHH 3.5.1.- GO:0000122 ... Q70I53 16242151 MOAD: ic50=0.95uM
    PDBbind: -logKd/Ki=6.02, IC50=0.95uM
    BindingDB: Ki=1000nM, Kd=300nM, IC50=1000nM
    4 1zz1:B (1.57) BS02 SHH 3.5.1.- GO:0000122 ... Q70I53 16242151 MOAD: ic50=0.95uM
    BindingDB: Ki=1000nM, Kd=300nM, IC50=1000nM
    5 1zz1:C (1.57) BS02 SHH 3.5.1.- GO:0000122 ... Q70I53 16242151 MOAD: ic50=0.95uM
    BindingDB: Ki=1000nM, Kd=300nM, IC50=1000nM
    6 1zz1:D (1.57) BS02 SHH 3.5.1.- GO:0000122 ... Q70I53 16242151 MOAD: ic50=0.95uM
    BindingDB: Ki=1000nM, Kd=300nM, IC50=1000nM
    7 3c0z:A (2.1) BS03 SHH 3.5.1.-
    3.5.1.98    		 N/A Q8WUI4 18285338 MOAD: ic50=113uM
    PDBbind: -logKd/Ki=3.95, IC50=113uM
    BindingDB: IC50=>10000nM, Ki=129nM, Kd=36000nM
    8 3c0z:B (2.1) BS03 SHH 3.5.1.-
    3.5.1.98    		 N/A Q8WUI4 18285338 MOAD: ic50=113uM
    BindingDB: IC50=>10000nM, Ki=129nM, Kd=36000nM
    9 3c0z:C (2.1) BS03 SHH 3.5.1.-
    3.5.1.98    		 N/A Q8WUI4 18285338 MOAD: ic50=113uM
    BindingDB: IC50=>10000nM, Ki=129nM, Kd=36000nM
    10 4bz6:A (2.0) BS02 SHH 3.5.1.98 GO:0000122 ... A5H660 24086136 BindingDB: IC50=1549nM
    11 4bz6:B (2.0) BS02 SHH 3.5.1.98 GO:0000122 ... A5H660 24086136 BindingDB: IC50=1549nM
    12 4bz6:C (2.0) BS02 SHH 3.5.1.98 GO:0000122 ... A5H660 24086136 BindingDB: IC50=1549nM
    13 4bz6:D (2.0) BS02 SHH 3.5.1.98 GO:0000122 ... A5H660 24086136 BindingDB: IC50=1549nM
    14 4lxz:A (1.85) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0004407 ... Q92769 23897821 MOAD: Kd=0.182uM
    PDBbind: -logKd/Ki=6.74, Kd=0.182uM
    BindingDB: IC50=921nM, Kd=182nM, Ki=40nM
    15 4lxz:B (1.85) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0004407 ... Q92769 23897821 MOAD: Kd=0.182uM
    BindingDB: IC50=921nM, Kd=182nM, Ki=40nM
    16 4lxz:C (1.85) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0004407 ... Q92769 23897821 MOAD: Kd=0.182uM
    BindingDB: IC50=921nM, Kd=182nM, Ki=40nM
    17 4qa0:A (2.242) BS02 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 25075551 BindingDB: IC50=243nM, Ki=480nM, Kd=1.2e+3nM
    18 4qa0:B (2.242) BS01 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 25075551 BindingDB: IC50=243nM, Ki=480nM, Kd=1.2e+3nM
    19 4qa0:B (2.242) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 25075551 BindingDB: IC50=243nM, Ki=480nM, Kd=1.2e+3nM
    20 4qa2:A (2.377) BS02 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 25075551 BindingDB: IC50=243nM, Ki=480nM, Kd=1.2e+3nM
    21 4qa2:B (2.377) BS02 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 25075551 BindingDB: IC50=243nM, Ki=480nM, Kd=1.2e+3nM
    22 4r7l:A (1.66) BS02 SHH 3.3.2.6
    3.4.11.4    		 GO:0003723 ... P09960 N/A BindingDB: IC50=1670nM
    23 5eei:A (1.32) BS02 SHH 3.5.1.98 N/A F8W4B7 27454933 PDBbind: -logKd/Ki=9.22, Ki=0.6nM
    24 5eei:B (1.32) BS01 SHH 3.5.1.98 N/A F8W4B7 27454933
    25 7jvu:A (1.50048) BS02 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 33316326 BindingDB: IC50=2000nM, Ki=480nM, Kd=1.2e+3nM
    26 7jvu:A (1.50048) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 33316326 BindingDB: IC50=2000nM, Ki=480nM, Kd=1.2e+3nM
    27 7jvu:B (1.50048) BS01 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 33316326 BindingDB: IC50=2000nM, Ki=480nM, Kd=1.2e+3nM
    28 7jvu:B (1.50048) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q9BY41 33316326 BindingDB: IC50=2000nM, Ki=480nM, Kd=1.2e+3nM
    29 7sgg:A (2.1) BS01 SHH 3.5.1.48
    3.5.1.62    		 GO:0005634 ... F1QCV2 36200994
    30 7zzs:A (1.88) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q92769 36262388
    31 7zzs:B (1.88) BS04 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q92769 36262388
    32 7zzs:C (1.88) BS03 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q92769 36262388
    33 8bpc:B (2.8) BS01 SHH 3.5.1.-
    3.5.1.98    		 GO:0000118 ... Q92769 37137925
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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