Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02816294
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 |
M1A | 6-AMINO-1-METHYLPURINE | A | 1B42 | 0.77 | |
3MA | 6-AMINO-3-METHYLPURINE | A | 3MAG | 0.77 | |
GUN | GUANINE | A,B | 1IT7 | 0.7 | |
GUN | GUANINE | A,B,C,D | 3BP1 | 0.7 | |
GUN | GUANINE | A | 1XT4 | 0.7 | |
GUN | GUANINE | A | 1ULB | 0.7 | |
GUN | GUANINE | A,B | 2I9U | 0.7 | |
GUN | GUANINE | A | 2JH9 | 0.7 | |
GUN | GUANINE | E | 1V2H | 0.7 | |
GUN | GUANINE | A | 2JHA | 0.7 | |
GUN | GUANINE | A,B,C,D | 1A95 | 0.7 | |
GUN | GUANINE | A,B,C | 1XE7 | 0.7 | |
GUN | GUANINE | A,B,C | 1YQQ | 0.7 | |
GUN | GUANINE | A,B | 1D6A | 0.7 | |
GUN | GUANINE | A | 1WET | 0.7 | |
GUN | GUANINE | A | 2PUF | 0.7 | |
GUN | GUANINE | A,B,D,F,G,H, I,J,L,M,O,P | 1SQL | 0.7 | |
GUN | GUANINE | A,B,C | 1VMK | 0.7 | |
GUN | GUANINE | A,B,C | 1YQU | 0.7 | |
GUN | GUANINE | A | 2JHC | 0.7 | |
GUN | GUANINE | A | 2JH8 | 0.7 | |
GUN | GUANINE | A | 2JHP | 0.7 | |
GUN | GUANINE | A | 2PUC | 0.7 | |
GUN | GUANINE | A,B,C,D,E,F, G,H | 1XY3 | 0.7 | |
GUN | GUANINE | A,B,C,D,E,F | 2O74 | 0.7 | |
GUN | GUANINE | A | 2PWU | 0.7 | |
GUN | GUANINE | A | 2OOD | 0.7 | |
GUN | GUANINE | A | 2POT | 0.7 | |
DX4 | 2-amino-1,9-dihydro-6H-purine-6- thione | A,B,C,D | 3BMG | 0.8 | |
209 | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE | A | 1RS2 | 0.74 | |
A2F | 2-fluoroadenine | A | 3GOT | 0.74 | |
A2F | 2-fluoroadenine | A,B,C | 3GB9 | 0.74 | |
ADE | ADENINE | A | 1WEI | 0.75 | |
ADE | ADENINE | A | 2QLU | 0.75 | |
ADE | ADENINE | A,B | 2H8G | 0.75 | |
ADE | ADENINE | A,B | 1HQC | 0.75 | |
ADE | ADENINE | A | 1AHA | 0.75 | |
ADE | ADENINE | A,B,C,D,E,F, G,H | 1BJQ | 0.75 | |
ADE | ADENINE | A,B,D | 1YXM | 0.75 | |
ADE | ADENINE | A | 1CB0 | 0.75 | |
ADE | ADENINE | A,B | 2QTT | 0.75 | |
ADE | ADENINE | A,B,C | 1XE8 | 0.75 | |
ADE | ADENINE | A,B | 1M2T | 0.75 | |
ADE | ADENINE | A | 2P8N | 0.75 | |
ADE | ADENINE | A,B,C | 2PQJ | 0.75 | |
ADE | ADENINE | A,B,C | 1VRL | 0.75 | |
ADE | ADENINE | A,B | 3BSF | 0.75 | |
ADE | ADENINE | X | 1Y26 | 0.75 | |
ADE | ADENINE | A,B | 1ZN7 | 0.75 | |
ADE | ADENINE | A,B | 1Z5N | 0.75 | |
ADE | ADENINE | A | 1QB7 | 0.75 | |
ADE | ADENINE | A | 1LU1 | 0.75 | |
ADE | ADENINE | A,B | 1Q8Y | 0.75 | |
ADE | ADENINE | A | 2QES | 0.75 | |
ADE | ADENINE | A | 2PUB | 0.75 | |
ADE | ADENINE | A | 1Z8D | 0.75 | |
ADE | ADENINE | A | 1JH8 | 0.75 | |
ADE | ADENINE | A | 1QD2 | 0.75 | |
ADE | ADENINE | A | 2ICS | 0.75 | |
ADE | ADENINE | A | 1IFS | 0.75 | |
ADE | ADENINE | A | 1NLI | 0.75 | |
ADE | ADENINE | A,B | 1D2A | 0.75 | |
ADE | ADENINE | A | 1GIU | 0.75 | |
ADE | ADENINE | A | 1J1R | 0.75 | |
ADE | ADENINE | A | 2QET | 0.75 | |
ADE | ADENINE | A,B,C | 1OD4 | 0.75 | |
ADE | ADENINE | A,B | 1QCI | 0.75 | |
ADE | ADENINE | A,B,C,D,E,F | 2GA4 | 0.75 | |
ADE | ADENINE | A,B | 1JYS | 0.75 | |
ADE | ADENINE | A | 1LPD | 0.75 | |
ADE | ADENINE | A,B | 1OD2 | 0.75 | |
ADE | ADENINE | A | 1WTA | 0.75 | |
ADE | ADENINE | A,B,C | 1S2D | 0.75 | |
ADE | ADENINE | A | 1MUD | 0.75 | |
ADE | ADENINE | A | 2PUE | 0.75 | |
ADK | 3-METHYL-3H-PURIN-6-YLAMINE | A,B | 2OFI | 0.86 | |
ADK | 3-METHYL-3H-PURIN-6-YLAMINE | A | 1P7M | 0.86 | |
H33 | 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE | A | 2UY3 | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.73 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.73 | |
TEP | THEOPHYLLINE | A | 1EHT | 0.77 | |
TEP | THEOPHYLLINE | A,B | 2A3A | 0.77 | |
TEP | THEOPHYLLINE | A | 1O15 | 0.77 | |
L21 | 3-(3-methylbut-2-en-1-yl)-3H-purin- 6-amine | A,B | 2W6Z | 0.77 | |
XAN | XANTHINE | A | 3GAO | 0.76 | |
XAN | XANTHINE | 2,3,4,A,B,C, J,K,L,S,T,U | 3EUB | 0.76 | |
XAN | XANTHINE | A,B,C,D,E,F | 1YR3 | 0.76 | |
XAN | XANTHINE | A | 2UZ9 | 0.76 | |
XAN | XANTHINE | A,B,C,D,E,F, G,H | 2W3S | 0.76 | |
XAN | XANTHINE | A,B,C,D | 1A96 | 0.76 | |
NDM | 7,9-DIMETHYLGUANINE | A | 1JSZ | 0.74 | |
3D3 | 2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE | A | 2CGX | 0.7 | |
EA1 | 3H-IMIDAZO[2,1-I]PURINE | A,B | 1PU8 | 0.71 | |
PM6 | 9H-purine-6-thiol | A,B | 3BGD | 0.71 | |
ARP | 9-HYDROXYPROPYLADENINE, R-ISOMER | A,B | 1E2I | 0.71 | |
6GU | 6-chloroguanine | A | 3FO4 | 0.7 | |
6GU | 6-chloroguanine | A | 3GOG | 0.7 | |
6GU | 6-chloroguanine | A | 3GER | 0.7 | |
290 | 6-methyl-3,9-dihydro-2H-purin-2- one | A,B,C,I,J,K | 3B9J | 0.71 | |
APS | 9-HYDROXYPROPYLADENINE, S-ISOMER | A,B | 1E2I | 0.71 | |
37T | THEOBROMINE | A | 2EFJ | 0.81 | |
ADZ | 9-METHYL-9H-PURIN-6-AMINE | A | 1O9U | 0.81 | |
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 | |
6AP | 9H-PURINE-2,6-DIAMINE | A | 2B57 | 0.75 | |
203 | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU3 | 0.74 | |
203 | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU0 | 0.74 | |
39A | 6-AMINO-3,9-DIMETHYL-9H-PURIN-3- IUM | A,B | 1PU7 | 0.8 |