Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03672234
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 |
ZEZ![]() | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B | 3D7W | 0.71 | ![]() |
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 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.74 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.74 | ![]() |
TEP![]() | THEOPHYLLINE | A | 1EHT | 0.72 | ![]() |
TEP![]() | THEOPHYLLINE | A,B | 2A3A | 0.72 | ![]() |
TEP![]() | THEOPHYLLINE | A | 1O15 | 0.72 | ![]() |
203![]() | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU3 | 0.7 | ![]() |
203![]() | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU0 | 0.7 | ![]() |
AGD![]() | 3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine | A,B,C,D | 3C1P | 0.72 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B,C,D,E,F, G,H | 1QPY | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1RRU | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | B | 1PDT | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1PUP | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | B | 1NR8 | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1XJ9 | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A | 176D | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B,C,D | 1HZS | 0.71 | ![]() |
GPN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 2K4G | 0.71 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D,E,F, G,H | 1QPY | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1RRU | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1PDT | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1PUP | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1XJ9 | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A | 176D | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D | 1HZS | 0.77 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 2K4G | 0.77 | ![]() |
XAN![]() | XANTHINE | A | 3GAO | 0.72 | ![]() |
XAN![]() | XANTHINE | 2,3,4,A,B,C, J,K,L,S,T,U | 3EUB | 0.72 | ![]() |
XAN![]() | XANTHINE | A,B,C,D,E,F | 1YR3 | 0.72 | ![]() |
XAN![]() | XANTHINE | A | 2UZ9 | 0.72 | ![]() |
XAN![]() | XANTHINE | A,B,C,D,E,F, G,H | 2W3S | 0.72 | ![]() |
XAN![]() | XANTHINE | A,B,C,D | 1A96 | 0.72 | ![]() |
6MP![]() | 6-METHYLPURINE | A,B,C | 1OU4 | 0.73 | ![]() |
6MP![]() | 6-METHYLPURINE | A,B,C | 1OTY | 0.73 | ![]() |
6MP![]() | 6-METHYLPURINE | A | 2PUA | 0.73 | ![]() |
XX1![]() | N~6~-7H-PURIN-6-YL-L-LYSINE | A,B,C,D | 2OQF | 0.77 | ![]() |
A66![]() | 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.75 | ![]() |
ZEA![]() | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B,C,D | 2FLH | 0.71 | ![]() |
ZEA![]() | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B,C,D | 3C0V | 0.71 | ![]() |
ZEA![]() | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A | 2QIM | 0.71 | ![]() |
ZEA![]() | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B | 3D7W | 0.71 | ![]() |
ZEA![]() | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A | 1W1R | 0.71 | ![]() |