Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02040878
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
XTS | 9-[(2R,3R,4S,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H- PURINE-2,6-DIONE | A,C,E,G | 2EG5 | 0.77 | |
209 | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE | A | 1RS2 | 0.72 | |
GNE | 1,N2-ETHENOGUANINE | A,T | 2BQR | 0.7 | |
GNE | 1,N2-ETHENOGUANINE | A,T | 2BR0 | 0.7 | |
GNE | 1,N2-ETHENOGUANINE | A,T | 2BQ3 | 0.7 | |
GNE | 1,N2-ETHENOGUANINE | A,T | 2BQU | 0.7 | |
GNE | 1,N2-ETHENOGUANINE | A | 2K1Y | 0.7 | |
HGL | (2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid | A,B,C,D | 3C1P | 0.72 | |
D1H | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | A,B | 2IUZ | 0.79 | |
DIM | DIIMIDAZOLE LEXITROPSIN | A,B | 334D | 0.71 | |
EA1 | 3H-IMIDAZO[2,1-I]PURINE | A,B | 1PU8 | 0.7 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B,C,D,E,F, G,H | 1QPY | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1RRU | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | B | 1PDT | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1PUP | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | B | 1NR8 | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1XJ9 | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A | 176D | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B,C,D | 1HZS | 0.78 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 2K4G | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.78 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.78 | |
E1X | PHOSPHORIC ACID MONO-[5-(1-ETHYL- 2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN- 9-YL)-3-HYDROXY-TETRAHYDRO-FURAN- 2-YLMETHYL]ESTER | C,E | 1T39 | 0.75 | |
LGP | N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE | A,B | 1AC9 | 0.7 | |
LGP | N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE | A | 2F3T | 0.7 | |
37T | THEOBROMINE | A | 2EFJ | 0.78 | |
PNX | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE | A,B | 2A3C | 0.76 | |
MG7 | 7-METHYLGUANOSINE | A | 1EQA | 0.73 | |
MG7 | 7-METHYLGUANOSINE | A | 4DCG | 0.73 | |
PE2 | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE | A,B | 1KI3 | 0.73 | |
GA2 | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE | A,B | 1KI2 | 0.73 | |
13A | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN- 2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO- 2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4S-ONE | A,B,C,D | 2B1G | 0.73 | |
AC2 | 9-HYROXYETHOXYMETHYLGUANINE | A,B | 2KI5 | 0.73 | |
AC2 | 9-HYROXYETHOXYMETHYLGUANINE | E | 1PWY | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B,C,D | 2YWC | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 3BVJ | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 2CU0 | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 2CZF | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 2VXO | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 3BPW | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 1QK5 | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A | 1MEW | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 1P4R | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A | 1MEI | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 1LOL | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B,C,D | 1PL0 | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B | 1M9N | 0.73 | |
XMP | XANTHOSINE-5'-MONOPHOSPHATE | A,B,C,D | 1PKX | 0.73 | |
CG2 | CYTIDYL-2'-5'-PHOSPHO-GUANOSINE | A | 1OJ1 | 0.7 | |
ZGU | (S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE | A | 2JJA | 0.75 | |
XAN | XANTHINE | A | 3GAO | 0.73 | |
XAN | XANTHINE | 2,3,4,A,B,C, J,K,L,S,T,U | 3EUB | 0.73 | |
XAN | XANTHINE | A,B,C,D,E,F | 1YR3 | 0.73 | |
XAN | XANTHINE | A | 2UZ9 | 0.73 | |
XAN | XANTHINE | A,B,C,D,E,F, G,H | 2W3S | 0.73 | |
XAN | XANTHINE | A,B,C,D | 1A96 | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D,E,F, G,H | 1QPY | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1RRU | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1PDT | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1PUP | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1XJ9 | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A | 176D | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D | 1HZS | 0.73 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 2K4G | 0.73 | |
2DI | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN- 2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE | E | 1V3Q | 0.73 | |
2EG | A,B,C | 3EPG | 0.71 | ||
2EG | A,B | 2HMD | 0.71 | ||
2EG | A,B | 2HMR | 0.71 | ||
2EG | A,B,C | 3EPI | 0.71 | ||
GMP | GUANOSINE | A | 2GBH | 0.72 | |
GMP | GUANOSINE | A | 1IH7 | 0.72 | |
GMP | GUANOSINE | A | 2QVN | 0.72 | |
GMP | GUANOSINE | A,B | 1WAF | 0.72 | |
GMP | GUANOSINE | A,B,C,D,E,F | 1JE1 | 0.72 | |
GMP | GUANOSINE | A | 3DMH | 0.72 | |
GMP | GUANOSINE | E | 1RFG | 0.72 | |
GMP | GUANOSINE | A | 2FQX | 0.72 | |
GMP | GUANOSINE | A | 3CFO | 0.72 | |
GMP | GUANOSINE | A,B | 2AN9 | 0.72 | |
GMP | GUANOSINE | A,B,C,D,E,F | 1ODJ | 0.72 | |
H33 | 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE | A | 2UY3 | 0.71 | |
U2G | URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | A | 1EOW | 0.71 | |
U2G | URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | A,B | 11BG | 0.71 | |
U2G | URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | A | 1EOS | 0.71 | |
HHR | 6-HYDROXYMETHYLPTERIN | A | 3H4A | 0.72 | |
HHR | 6-HYDROXYMETHYLPTERIN | A,B | 1TMM | 0.72 | |
HHR | 6-HYDROXYMETHYLPTERIN | A | 1RU2 | 0.72 | |
HHR | 6-HYDROXYMETHYLPTERIN | A,B,C,D,E,F, G,H | 2W54 | 0.72 | |
AGD | 3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine | A,B,C,D | 3C1P | 0.74 | |
GU7 | 2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE | A | 1FXU | 0.79 | |
TEP | THEOPHYLLINE | A | 1EHT | 0.76 | |
TEP | THEOPHYLLINE | A,B | 2A3A | 0.76 | |
TEP | THEOPHYLLINE | A | 1O15 | 0.76 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A,B,C,D,E | 1FCW | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A,B,C,D,E,F | 1OB5 | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | B,C,D | 1JGQ | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | B | 1ML5 | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | X,Y | 2DLC | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A,B,C,D,E,F | 1TTT | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A,B | 1F7U | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 2Z9Q | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | B,C,D | 1GIX | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1WTS | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A,B | 1OB2 | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | 2,Y | 2QNH | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A,B | 3DEG | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | C,D | 1MJ1 | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | B | 1F7V | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1WTT | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1YFG | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1TRA | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A,C,E,F | 486D | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | E,F | 1SZ1 | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1TN2 | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1EVV | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | 0,Y,Z | 2OW8 | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | B,C,D | 1JGP | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 4TNA | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | V,Y,Z | 3FIC | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 6TNA | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1EHZ | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 1FIR | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | A | 4TRA | 0.7 | |
2MG | 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE | B,C,D | 1JGO | 0.7 | |
2ND | 2'-DEOXYINOSINE | A | 1Z39 | 0.71 | |
LUZ | pteridine-2,4(1H,3H)-dione | A,B,C,L,M,N | 3ETR | 0.72 | |
3DG | 9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE | E | 1V45 | 0.72 | |
CFF | CAFFEINE | A,B | 1L5Q | 0.77 | |
CFF | CAFFEINE | A,B | 2A3B | 0.77 | |
CFF | CAFFEINE | A,B | 1L7X | 0.77 | |
CFF | CAFFEINE | A | 1GFZ | 0.77 | |
CFF | CAFFEINE | A,B | 3DDW | 0.77 | |
CFF | CAFFEINE | A,B | 3DD1 | 0.77 | |
CFF | CAFFEINE | A,B | 3DDS | 0.77 | |
CFF | CAFFEINE | A | 1C8L | 0.77 | |
NDM | 7,9-DIMETHYLGUANINE | A | 1JSZ | 0.7 |