SEQ2FUN

BioLiP
Download all results in tab-seperated text for 1072681 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.
  • Sort results by
    << < 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 > >>
    Go to page

    # PDB
    (Resolution Å)
    Site # Ligand EC number GO terms UniProt PubMed Binding
    affinity
    227001 4gnc:B (1.749) BS04 ASO 3.1.1.17 GO:0004341 ... Q15493 23349732
    227002 4gnd:A (2.27) BS01 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227003 4gnd:A (2.27) BS02 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227004 4gnd:A (2.27) BS03 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227005 4gnd:A (2.27) BS04 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227006 4gnd:C (2.27) BS01 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227007 4gnd:C (2.27) BS02 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227008 4gnd:C (2.27) BS03 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227009 4gnd:C (2.27) BS04 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227010 4gne:A (1.47) BS01 peptide 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227011 4gne:A (1.47) BS02 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227012 4gne:A (1.47) BS03 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227013 4gne:A (1.47) BS04 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227014 4gne:A (1.47) BS05 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227015 4gnf:A (1.55) BS01 peptide 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227016 4gnf:A (1.55) BS02 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227017 4gnf:A (1.55) BS03 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227018 4gnf:A (1.55) BS04 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227019 4gnf:A (1.55) BS05 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227020 4gng:A (1.73) BS01 peptide 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227021 4gng:A (1.73) BS02 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227022 4gng:A (1.73) BS03 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227023 4gng:A (1.73) BS04 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227024 4gng:A (1.73) BS05 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227025 4gng:D (1.73) BS01 peptide 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227026 4gng:D (1.73) BS02 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227027 4gng:D (1.73) BS03 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227028 4gng:D (1.73) BS04 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227029 4gng:D (1.73) BS05 ZN 2.1.1.370
    2.1.1.371
    N/A Q9BZ95 23269674
    227030 4gni:A (1.796) BS01 ATP ? GO:0005524 ... G0RZX9 23202586
    227031 4gni:B (1.796) BS01 ATP ? GO:0005524 ... G0RZX9 23202586
    227032 4gnk:A (4.0) BS01 GDP ? GO:0001501 ... P21279 23377541
    227033 4gnk:A (4.0) BS02 ALF ? GO:0001501 ... P21279 23377541
    227034 4gnk:A (4.0) BS03 MG ? GO:0001501 ... P21279 23377541
    227035 4gnk:B (4.0) BS01 CA 3.1.4.11 GO:0003073 ... Q01970 23377541
    227036 4gnk:C (4.0) BS01 GDP ? GO:0001501 ... P21279 23377541
    227037 4gnk:C (4.0) BS02 ALF ? GO:0001501 ... P21279 23377541
    227038 4gnk:C (4.0) BS03 MG ? GO:0001501 ... P21279 23377541
    227039 4gnk:D (4.0) BS01 CA 3.1.4.11 GO:0003073 ... Q01970 23377541
    227040 4gnl:A (1.7) BS01 MN 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227041 4gnl:A (1.7) BS02 GDP 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227042 4gnl:A (1.7) BS03 PEP 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227043 4gnm:A (1.5) BS01 GTP 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227044 4gnm:A (1.5) BS02 MN 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227045 4gnm:A (1.5) BS03 OXL 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227046 4gno:A (1.5) BS01 GTP 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227047 4gno:A (1.5) BS02 MN 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227048 4gno:A (1.5) BS03 SPV 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227049 4gnp:A (1.744) BS01 GDP 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227050 4gnp:A (1.744) BS02 MN 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227051 4gnp:A (1.744) BS03 PEP 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227052 4gnq:A (1.4) BS01 GTP 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227053 4gnq:A (1.4) BS02 MN 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227054 4gnq:A (1.4) BS03 OXL 2.7.11.-
    4.1.1.32
    GO:0004611 ... P07379 23127136
    227055 4gnr:A (1.0) BS01 ILE ? GO:0006865 ... J9PBT7 N/A
    227056 4gnt:A (2.41) BS01 peptide ? GO:0004860 ... Q9CQV8 N/A
    227057 4gnw:A (1.15) BS01 HEM 1.7.6.1 GO:0005576 ... Q94734 N/A
    227058 4gnw:B (1.15) BS01 HEM 1.7.6.1 GO:0005576 ... Q94734 N/A
    227059 4gnx:B (2.8) BS01 dna N/A GO:0003676 ... N/A N/A
    227060 4gnx:C (2.8) BS01 dna N/A GO:0003676 ... N/A N/A
    227061 4gnx:C (2.8) BS02 ZN N/A GO:0003676 ... N/A N/A
    227062 4gnx:Y (2.8) BS01 dna N/A GO:0003676 ... N/A N/A
    227063 4gnx:Z (2.8) BS01 dna N/A GO:0003676 ... N/A N/A
    227064 4gnx:Z (2.8) BS02 ZN N/A GO:0003676 ... N/A N/A
    227065 4gny:A (1.6367) BS01 SDS ? GO:0005515 ... P02754 23334914
    227066 4gnz:A (2.3) BS01 NAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227067 4gnz:B (2.3) BS01 NAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227068 4gnz:C (2.3) BS01 NAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227069 4gnz:D (2.3) BS01 NAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227070 4go0:A (3.38) BS01 NDP 1.5.1.6 GO:0016491 ... P28037 23295222
    227071 4go0:B (3.38) BS01 NDP 1.5.1.6 GO:0016491 ... P28037 23295222
    227072 4go0:C (3.38) BS01 NDP 1.5.1.6 GO:0016491 ... P28037 23295222
    227073 4go0:D (3.38) BS01 NDP 1.5.1.6 GO:0016491 ... P28037 23295222
    227074 4go2:A (2.28) BS01 TAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227075 4go2:B (2.28) BS01 TAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227076 4go2:C (2.28) BS01 TAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227077 4go2:D (2.28) BS01 TAP 1.5.1.6 GO:0016491 ... P28037 23295222
    227078 4go4:A (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227079 4go4:B (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227080 4go4:C (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227081 4go4:D (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227082 4go4:E (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227083 4go4:F (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227084 4go4:G (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227085 4go4:H (3.099) BS01 NAD 1.2.1.3 GO:0004030 ... C1I208 N/A
    227086 4go7:X (2.0) BS01 THR 2.7.2.4 N/A P9WPX3 21976064
    227087 4go8:A (2.15) BS01 CA 5.4.11.99 GO:0004553 ... Q2PS28 N/A
    227088 4go8:B (2.15) BS01 CA 5.4.11.99 GO:0004553 ... Q2PS28 N/A
    227089 4go9:A (2.2) BS01 CA 5.4.11.99 GO:0004553 ... Q2PS28 N/A
    227090 4go9:B (2.2) BS01 CA 5.4.11.99 GO:0004553 ... Q2PS28 N/A
    227091 4gog:A (1.1) BS01 IM2 3.5.2.6 GO:0008800 ... Q9KJY7 23148776
    227092 4gog:B (1.1) BS01 IM2 3.5.2.6 GO:0008800 ... Q9KJY7 23148776
    227093 4goj:A (2.1) BS01 GNP ? GO:0000139 ... Q9WUL7 22960633
    227094 4goj:A (2.1) BS02 MG ? GO:0000139 ... Q9WUL7 22960633
    227095 4goj:B (2.1) BS01 GNP ? GO:0000139 ... Q9WUL7 22960633
    227096 4goj:B (2.1) BS02 MG ? GO:0000139 ... Q9WUL7 22960633
    227097 4gok:A (2.6) BS01 GNP ? GO:0003924 ... Q9D0J4 22960633
    227098 4gok:A (2.6) BS02 MG ? GO:0003924 ... Q9D0J4 22960633
    227099 4gok:B (2.6) BS01 GNP ? GO:0003924 ... Q9D0J4 22960633
    227100 4gok:B (2.6) BS02 MG ? GO:0003924 ... Q9D0J4 22960633
    227101 4gol:D (2.57) BS01 SA8 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227102 4gol:E (2.57) BS01 SA8 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227103 4gol:F (2.57) BS01 SA8 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227104 4gom:D (2.45) BS01 0Y0 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227105 4gom:E (2.45) BS01 0Y0 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227106 4gom:F (2.45) BS01 0Y0 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227107 4gon:D (2.72) BS01 0Y1 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227108 4gon:E (2.72) BS01 0Y1 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227109 4gon:F (2.72) BS01 0Y1 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227110 4goo:D (2.7) BS01 0Y2 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227111 4goo:E (2.7) BS01 0Y2 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227112 4goo:F (2.7) BS01 0Y2 2.1.1.72 GO:0003676 ... P0AEE8 N/A
    227113 4gop:B (3.1) BS01 dna N/A GO:0003676 ... N/A 23070815
    227114 4gop:C (3.1) BS01 dna N/A GO:0003676 ... N/A 23070815
    227115 4gop:C (3.1) BS02 ZN N/A GO:0003676 ... N/A 23070815
    227116 4gop:Y (3.1) BS01 dna N/A GO:0003676 ... N/A 23070815
    227117 4gop:Z (3.1) BS01 dna N/A GO:0003676 ... N/A 23070815
    227118 4gop:Z (3.1) BS02 ZN N/A GO:0003676 ... N/A 23070815
    227119 4gos:A (1.59) BS01 MAN ? N/A Q7Z7D3 25437562
    227120 4gow:D (2.6) BS01 peptide ? GO:0000922 ... P0DP23 23178170
    227121 4gow:D (2.6) BS02 CA ? GO:0000922 ... P0DP23 23178170
    227122 4gow:D (2.6) BS03 CA ? GO:0000922 ... P0DP23 23178170
    227123 4gow:D (2.6) BS04 CA ? GO:0000922 ... P0DP23 23178170
    227124 4gow:D (2.6) BS05 CA ? GO:0000922 ... P0DP23 23178170
    227125 4gox:A (2.15) BS01 A3P ? GO:0006478 ... A0ACD6B8F3 22991895
    227126 4gp1:A (1.94) BS01 DMA ? GO:0004311 ... A3MSH1 N/A
    227127 4gp2:A (2.0) BS01 MG ? GO:0004311 ... A3MSH1 N/A
    227128 4gp2:A (2.0) BS02 MG ? GO:0004311 ... A3MSH1 N/A
    227129 4gp2:A (2.0) BS03 DMA ? GO:0004311 ... A3MSH1 N/A
    227130 4gp2:A (2.0) BS04 DMA ? GO:0004311 ... A3MSH1 N/A
    227131 4gp2:A (2.0) BS05 MG ? GO:0004311 ... A3MSH1 N/A
    227132 4gp2:B (2.0) BS01 MG ? GO:0004311 ... A3MSH1 N/A
    227133 4gp2:B (2.0) BS02 MG ? GO:0004311 ... A3MSH1 N/A
    227134 4gp2:B (2.0) BS03 MG ? GO:0004311 ... A3MSH1 N/A
    227135 4gp2:B (2.0) BS04 DMA ? GO:0004311 ... A3MSH1 N/A
    227136 4gp2:B (2.0) BS05 DMA ? GO:0004311 ... A3MSH1 N/A
    227137 4gp4:A (2.8) BS01 CU 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227138 4gp4:A (2.8) BS02 HEM 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227139 4gp4:A (2.8) BS03 HAS 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227140 4gp4:B (2.8) BS01 CUA 7.1.1.9 GO:0004129 ... Q5SJ80 23282175
    227141 4gp5:A (2.7) BS01 CU 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227142 4gp5:A (2.7) BS02 HEM 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227143 4gp5:A (2.7) BS03 HAS 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227144 4gp5:B (2.7) BS01 CUA 7.1.1.9 GO:0004129 ... Q5SJ80 23282175
    227145 4gp6:A (2.1) BS01 ADP 2.7.1.78 N/A A3DJ38 23118415
    227146 4gp6:B (2.1) BS01 ADP 2.7.1.78 N/A A3DJ38 23118415
    227147 4gp7:A (2.0) BS01 ATP 2.7.1.78 N/A A3DJ38 23118415
    227148 4gp7:B (2.0) BS01 ATP 2.7.1.78 N/A A3DJ38 23118415
    227149 4gp8:A (2.8) BS01 CU 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227150 4gp8:A (2.8) BS02 HEM 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227151 4gp8:A (2.8) BS03 HAS 7.1.1.9 GO:0004129 ... Q5SJ79 23282175
    227152 4gp8:B (2.8) BS01 CUA 7.1.1.9 GO:0004129 ... Q5SJ80 23282175
    227153 4gp9:A (1.07) BS01 CA 4.1.1.7 GO:0000287 ... P20906 23607689
    227154 4gp9:A (1.07) BS02 TZD 4.1.1.7 GO:0000287 ... P20906 23607689
    227155 4gpb:A (2.3) BS01 GFP 2.4.1.1 GO:0004645 ... P00489 2125493
    227156 4gpb:A (2.3) BS02 GFP 2.4.1.1 GO:0004645 ... P00489 2125493
    227157 4gpb:A (2.3) BS03 PLP 2.4.1.1 GO:0004645 ... P00489 2125493
    227158 4gpc:A (1.85) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227159 4gpc:B (1.85) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227160 4gpc:C (1.85) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227161 4gpc:C (1.85) BS02 ASC 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227162 4gpe:A (1.39) BS01 CA 4.1.1.7 GO:0000287 ... P20906 23607689
    227163 4gpe:A (1.39) BS02 TZD 4.1.1.7 GO:0000287 ... P20906 23607689
    227164 4gpf:A (1.9) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227165 4gpf:B (1.9) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227166 4gpf:C (1.9) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227167 4gph:A (1.7) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227168 4gph:B (1.7) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227169 4gph:C (1.7) BS01 BLA 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227170 4gph:C (1.7) BS02 ASC 1.14.14.18 GO:0004392 ... Q54AI1 N/A
    227171 4gpj:A (1.6) BS01 0Q1 ? N/A O60885 26682033 BindingDB: IC50=1259nM
    227172 4gpk:A (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227173 4gpk:B (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227174 4gpk:C (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227175 4gpk:D (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227176 4gpk:E (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227177 4gpk:F (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227178 4gpk:G (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227179 4gpk:H (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227180 4gpk:I (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227181 4gpk:J (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227182 4gpk:K (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227183 4gpk:L (3.2) BS01 peptide ? N/A G5DDY8 23793817
    227184 4gpl:B (3.0) BS01 peptide 2.3.2.27 GO:0001784 ... P22681 23572190
    227185 4gpn:A (2.291) BS01 BG6 3.2.1.86 GO:0004553 ... Q8DT00 23519420
    227186 4gpn:B (2.291) BS01 BGC 3.2.1.86 GO:0004553 ... Q8DT00 23519420
    227187 4gpn:B (2.291) BS02 BG6 3.2.1.86 GO:0004553 ... Q8DT00 23519420
    227188 4gpr:A (1.6) BS01 CO ? GO:0000209 ... C4M5T2 23209297
    227189 4gpt:A (2.22) BS01 GNP 3.6.5.- GO:0000054 ... P62826 22847027
    227190 4gpt:A (2.22) BS02 MG 3.6.5.- GO:0000054 ... P62826 22847027
    227191 4gpt:C (2.22) BS01 51K ? GO:0000055 ... P30822 22847027
    227192 4gpu:A (2.8) BS01 MN 3.1.13.-
    3.6.1.-
    GO:0000956 ... Q6CPU0 22961381
    227193 4gq0:A (2.1) BS01 QAP 1.1.1.300
    1.1.1.54
    GO:0001523 ... P15121 N/A BindingDB: IC50=80nM, Ki=46nM
    227194 4gq0:A (2.1) BS02 NAP 1.1.1.300
    1.1.1.54
    GO:0001523 ... P15121 N/A
    227195 4gq3:A (1.56) BS01 0RO ? GO:0005634 ... O00255 22936661 BindingDB: Kd=158nM, IC50=446nM
    227196 4gq4:A (1.27) BS01 0RT ? GO:0005634 ... O00255 22936661 BindingDB: IC50=190nM
    227197 4gq6:A (1.55) BS01 peptide ? GO:0005634 ... O00255 22936661
    227198 4gq7:A (2.53) BS01 CA ? N/A B3IUA8 23281814
    227199 4gqb:A (2.06) BS01 peptide 2.1.1.320 GO:0000387 ... O14744 23071334
    227200 4gqb:A (2.06) BS02 0XU 2.1.1.320 GO:0000387 ... O14744 23071334

    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).