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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP
Download all results in tab-seperated text for 121 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 1c14:A (2.0) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10595560 MOAD: ic50=120nM
    BindingDB: IC50=430nM
    2 1c14:B (2.0) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10595560 MOAD: ic50=120nM
    BindingDB: IC50=430nM
    3 1d7o:A (1.9) BS02 TCL 1.3.1.9 GO:0004318 ... P80030 10610777
    4 1d8a:A (2.2) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10201369 BindingDB: IC50=430nM
    5 1d8a:B (2.2) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10201369 BindingDB: IC50=430nM
    6 1nhg:A (2.43) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BH77 11792710 MOAD: Ki=0.05uM
    PDBbind: -logKd/Ki=7.30, Ki=0.05uM
    BindingDB: IC50=49nM
    7 1nhg:B (2.43) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BH77 11792710 MOAD: Ki=0.05uM
    BindingDB: IC50=49nM
    8 1p45:A (2.6) BS02 TCL 1.3.1.9 GO:0004318 ... P9WGR1 12606558 BindingDB: Ki=220nM, IC50=1000nM
    9 1p45:A (2.6) BS03 TCL 1.3.1.9 GO:0004318 ... P9WGR1 12606558 BindingDB: Ki=220nM, IC50=1000nM
    10 1p45:B (2.6) BS02 TCL 1.3.1.9 GO:0004318 ... P9WGR1 12606558 BindingDB: Ki=220nM, IC50=1000nM
    11 1qg6:A (1.9) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10493822 MOAD: Kd=22pM
    BindingDB: IC50=430nM
    12 1qg6:B (1.9) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10493822 MOAD: Kd=22pM
    BindingDB: IC50=430nM
    13 1qg6:C (1.9) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10493822 MOAD: Kd=22pM
    BindingDB: IC50=430nM
    14 1qg6:D (1.9) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10493822 MOAD: Kd=22pM
    BindingDB: IC50=430nM
    15 1qsg:A (1.75) BS03 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    16 1qsg:B (1.75) BS03 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    17 1qsg:C (1.75) BS03 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    18 1qsg:D (1.75) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    19 1qsg:E (1.75) BS03 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    20 1qsg:F (1.75) BS03 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    21 1qsg:G (1.75) BS03 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    22 1qsg:H (1.75) BS03 TCL 1.3.1.9 GO:0004318 ... P0AEK4 10398587 BindingDB: IC50=430nM
    23 1uh5:A (2.2) BS01 TCL 1.3.1.9 GO:0004318 ... Q9BJJ9 15381426 BindingDB: IC50=200nM
    24 1uh5:B (2.2) BS01 TCL 1.3.1.9 GO:0004318 ... Q9BJJ9 15381426 BindingDB: IC50=200nM
    25 2b35:A (2.3) BS01 TCL 1.3.1.9 GO:0004318 ... P9WGR1 N/A MOAD: Ki=0.22uM
    BindingDB: Ki=220nM, IC50=1000nM
    26 2b35:B (2.3) BS01 TCL 1.3.1.9 GO:0004318 ... P9WGR1 N/A MOAD: Ki=0.22uM
    BindingDB: Ki=220nM, IC50=1000nM
    27 2b35:C (2.3) BS01 TCL 1.3.1.9 GO:0004318 ... P9WGR1 N/A MOAD: Ki=0.22uM
    BindingDB: Ki=220nM, IC50=1000nM
    28 2b35:D (2.3) BS01 TCL 1.3.1.9 GO:0004318 ... P9WGR1 N/A MOAD: Ki=0.22uM
    BindingDB: Ki=220nM, IC50=1000nM
    29 2b35:E (2.3) BS01 TCL 1.3.1.9 GO:0004318 ... P9WGR1 N/A MOAD: Ki=0.22uM
    BindingDB: Ki=220nM, IC50=1000nM
    30 2b35:F (2.3) BS01 TCL 1.3.1.9 GO:0004318 ... P9WGR1 N/A MOAD: Ki=0.22uM
    BindingDB: Ki=220nM, IC50=1000nM
    31 2o2s:A (2.6) BS02 TCL 1.3.1.9 GO:0004318 ... Q6UCJ9 17327670 BindingDB: IC50=15nM
    32 2o2s:B (2.6) BS02 TCL 1.3.1.9 GO:0004318 ... Q6UCJ9 17327670 BindingDB: IC50=15nM
    33 2o2y:A (2.2) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BH77 17327670 MOAD: Ki=0.4nM
    BindingDB: IC50=49nM
    34 2o2y:B (2.2) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BH77 17327670 MOAD: Ki=0.4nM
    BindingDB: IC50=49nM
    35 2o2y:C (2.2) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BH77 17327670 MOAD: Ki=0.4nM
    BindingDB: IC50=49nM
    36 2o2y:D (2.2) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BH77 17327670 MOAD: Ki=0.4nM
    BindingDB: IC50=49nM
    37 2pd3:A (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... O24990 17879346
    38 2pd3:B (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... O24990 17879346
    39 2pd3:C (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... O24990 17879346
    40 2pd3:D (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... O24990 17879346
    41 2qio:A (2.44) BS02 TCL 1.3.1.9 GO:0000166 ... A0A6L8PBX8 18663709 MOAD: ic50=3.6uM
    42 2qio:B (2.44) BS02 TCL 1.3.1.9 GO:0000166 ... A0A6L8PBX8 18663709 MOAD: ic50=3.6uM
    43 2qio:C (2.44) BS02 TCL 1.3.1.9 GO:0000166 ... A0A6L8PBX8 18663709 MOAD: ic50=3.6uM
    44 2qio:D (2.44) BS02 TCL 1.3.1.9 GO:0000166 ... A0A6L8PBX8 18663709 MOAD: ic50=3.6uM
    45 2wyw:A (1.9) BS02 TCL 1.3.1.9 GO:0000166 ... Q5SLI9 23027736
    46 2wyw:B (1.9) BS02 TCL 1.3.1.9 GO:0000166 ... Q5SLI9 23027736
    47 2wyw:C (1.9) BS02 TCL 1.3.1.9 GO:0000166 ... Q5SLI9 23027736
    48 2wyw:D (1.9) BS02 TCL 1.3.1.9 GO:0000166 ... Q5SLI9 23027736
    49 3am3:A (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BJJ9 21280175 MOAD: Ki=28nM
    BindingDB: IC50=200nM
    50 3am3:B (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BJJ9 21280175 MOAD: Ki=28nM
    BindingDB: IC50=200nM
    51 3am5:A (2.05) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BJJ9 21280175 MOAD: Ki=38nM
    BindingDB: IC50=200nM
    52 3am5:B (2.05) BS02 TCL 1.3.1.9 GO:0004318 ... Q9BJJ9 21280175 MOAD: Ki=38nM
    BindingDB: IC50=200nM
    53 3f4b:A (2.49) BS02 TCL 1.3.1.9 GO:0004318 ... Q6TEI5 19064257
    54 3f4b:B (2.49) BS02 TCL 1.3.1.9 GO:0004318 ... Q6TEI5 19064257
    55 3f4b:C (2.49) BS02 TCL 1.3.1.9 GO:0004318 ... Q6TEI5 19064257
    56 3f4b:D (2.49) BS02 TCL 1.3.1.9 GO:0004318 ... Q6TEI5 19064257
    57 3gr6:A (2.28) BS02 TCL 1.3.1.39 GO:0000166 ... Q6GI75 19768684 MOAD: Kd=2.92nM
    BindingDB: IC50=70nM, Ki=0.05nM
    58 3gr6:D (2.28) BS02 TCL 1.3.1.39 GO:0000166 ... Q6GI75 19768684 MOAD: Kd=2.92nM
    BindingDB: IC50=70nM, Ki=0.05nM
    59 3gr6:G (2.28) BS02 TCL 1.3.1.39 GO:0000166 ... Q6GI75 19768684 MOAD: Kd=2.92nM
    BindingDB: IC50=70nM, Ki=0.05nM
    60 3gr6:J (2.28) BS02 TCL 1.3.1.39 GO:0000166 ... Q6GI75 19768684 MOAD: Kd=2.92nM
    BindingDB: IC50=70nM, Ki=0.05nM
    61 3nrc:A (2.101) BS02 TCL 1.3.1.9 GO:0000166 ... Q5NGQ3 21045289 BindingDB: IC50=1300nM
    62 3nrc:B (2.101) BS02 TCL 1.3.1.9 GO:0000166 ... Q5NGQ3 21045289 BindingDB: IC50=1300nM
    63 3oid:A (1.8) BS01 TCL 1.3.1.104 GO:0004318 ... P71079 21185310
    64 3oid:B (1.8) BS01 TCL 1.3.1.104 GO:0004318 ... P71079 21185310
    65 3oid:C (1.8) BS01 TCL 1.3.1.104 GO:0004318 ... P71079 21185310
    66 3oid:D (1.8) BS01 TCL 1.3.1.104 GO:0004318 ... P71079 21185310
    67 3oif:A (2.6) BS02 TCL 1.3.1.9 GO:0004318 ... P54616 21185310 BindingDB: IC50=500nM
    68 3oif:D (2.6) BS02 TCL 1.3.1.9 GO:0004318 ... P54616 21185310 BindingDB: IC50=500nM
    69 3p9t:A (2.02) BS01 TCL ? GO:0000976 ... Q8KLP4 21738470 MOAD: Kd=0.63uM
    PDBbind: -logKd/Ki=6.20, Kd=0.63uM
    70 3p9t:A (2.02) BS02 TCL ? GO:0000976 ... Q8KLP4 21738470 MOAD: Kd=0.63uM
    PDBbind: -logKd/Ki=6.20, Kd=0.63uM
    71 3pjd:A (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 21094257 MOAD: ic50=380nM
    BindingDB: IC50=430nM
    72 3pjd:B (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 21094257 MOAD: ic50=380nM
    BindingDB: IC50=430nM
    73 3pje:A (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 21094257 MOAD: ic50=470nM
    BindingDB: IC50=430nM
    74 3pje:B (2.5) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 21094257 MOAD: ic50=470nM
    BindingDB: IC50=430nM
    75 3pjf:A (1.9) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 21094257 MOAD: ic50=68500nM
    BindingDB: IC50=430nM
    76 3pjf:B (1.9) BS02 TCL 1.3.1.9 GO:0004318 ... P0AEK4 21094257 MOAD: ic50=68500nM
    BindingDB: IC50=430nM
    77 4ali:A (2.1) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    78 4ali:B (2.1) BS01 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    79 4ali:C (2.1) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    80 4ali:D (2.1) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    81 4ali:E (2.1) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    82 4ali:F (2.1) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    83 4ali:G (2.1) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    84 4ali:H (2.1) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    85 4all:A (2.8) BS01 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    86 4all:B (2.8) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    87 4all:C (2.8) BS02 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    88 4all:D (2.8) BS01 TCL 1.3.1.39 GO:0000166 ... A0A0H3JLH9 22579249
    89 4m89:A (1.9) BS02 TCL 1.3.1.9 GO:0000166 ... A1KVU8 N/A
    90 4m89:B (1.9) BS02 TCL 1.3.1.9 GO:0000166 ... A1KVU8 N/A
    91 4nr0:A (1.799) BS02 TCL 1.3.1.9 GO:0004318 ... Q9ZFE4 N/A
    92 4nr0:B (1.799) BS02 TCL 1.3.1.9 GO:0004318 ... Q9ZFE4 N/A
    93 4nr0:C (1.799) BS02 TCL 1.3.1.9 GO:0004318 ... Q9ZFE4 N/A
    94 4nr0:D (1.799) BS02 TCL 1.3.1.9 GO:0004318 ... Q9ZFE4 N/A
    95 4w9n:A (1.84) BS01 TCL 1.1.1.100
    1.3.1.39
    2.3.1.38
    2.3.1.39
    2.3.1.41
    2.3.1.85
    3.1.2.14
    4.2.1.59    		 GO:0016491 ... P49327 25301948 PDBbind: -logKd/Ki=4.26, IC50=54.7uM
    96 4w9n:B (1.84) BS01 TCL 1.1.1.100
    1.3.1.39
    2.3.1.38
    2.3.1.39
    2.3.1.41
    2.3.1.85
    3.1.2.14
    4.2.1.59    		 GO:0016491 ... P49327 25301948 MOAD: ic50=54.7uM
    PDBbind: -logKd/Ki=4.26, IC50=54.7uM
    97 4w9n:C (1.84) BS01 TCL 1.1.1.100
    1.3.1.39
    2.3.1.38
    2.3.1.39
    2.3.1.41
    2.3.1.85
    3.1.2.14
    4.2.1.59    		 GO:0016491 ... P49327 25301948
    98 4w9n:D (1.84) BS01 TCL 1.1.1.100
    1.3.1.39
    2.3.1.38
    2.3.1.39
    2.3.1.41
    2.3.1.85
    3.1.2.14
    4.2.1.59    		 GO:0016491 ... P49327 25301948 MOAD: ic50=54.7uM
    99 5ifl:A (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    100 5ifl:B (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    101 5ifl:C (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    102 5ifl:D (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    103 5ifl:E (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    104 5ifl:F (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    105 5ifl:G (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    106 5ifl:H (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    107 5ifl:I (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    108 5ifl:J (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    109 5ifl:K (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    110 5ifl:L (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    111 5ifl:M (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    112 5ifl:N (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    113 5ifl:O (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    114 5ifl:P (2.6) BS01 TCL 1.3.1.9 GO:0000166 ... A0A0H3HP34 28225601
    115 5ycs:A (1.95) BS02 TCL 1.3.1.9 GO:0000166 ... Q81GI3 28935372
    116 5ycs:B (1.95) BS02 TCL 1.3.1.9 GO:0000166 ... Q81GI3 28935372
    117 5ycs:C (1.95) BS02 TCL 1.3.1.9 GO:0000166 ... Q81GI3 28935372
    118 5ycs:D (1.95) BS02 TCL 1.3.1.9 GO:0000166 ... Q81GI3 28935372
    119 6ah9:A (1.74) BS02 TCL 1.3.1.9 GO:0000166 ... D0CAD5 N/A
    120 7fcm:A (2.22) BS02 TCL N/A GO:0004318 ... N/A 35276316
    121 7fcm:B (2.22) BS03 TCL N/A GO:0004318 ... N/A 35276316
    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).
  • 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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