Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02230626
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 |
PM6 | 9H-purine-6-thiol | A,B | 3BGD | 0.72 | |
EA1 | 3H-IMIDAZO[2,1-I]PURINE | A,B | 1PU8 | 0.72 | |
M1A | 6-AMINO-1-METHYLPURINE | A | 1B42 | 0.77 | |
3MA | 6-AMINO-3-METHYLPURINE | A | 3MAG | 0.77 | |
A2F | 2-fluoroadenine | A | 3GOT | 0.78 | |
A2F | 2-fluoroadenine | A,B,C | 3GB9 | 0.78 | |
HSM | HISTAMINE | A,B | 1U18 | 0.71 | |
HSM | HISTAMINE | A | 1AVN | 0.71 | |
HSM | HISTAMINE | A,B | 1KAR | 0.71 | |
HSM | HISTAMINE | A,B | 1NP1 | 0.71 | |
HSM | HISTAMINE | A,B | 1JQD | 0.71 | |
HSM | HISTAMINE | A,B | 2QEB | 0.71 | |
HSM | HISTAMINE | A,B | 1QFV | 0.71 | |
HSM | HISTAMINE | A | 1IKE | 0.71 | |
HSM | HISTAMINE | A | 3BU1 | 0.71 | |
HSM | HISTAMINE | A,B | 1QFT | 0.71 | |
TEP | THEOPHYLLINE | A | 1EHT | 0.7 | |
TEP | THEOPHYLLINE | A,B | 2A3A | 0.7 | |
TEP | THEOPHYLLINE | A | 1O15 | 0.7 | |
6AP | 9H-PURINE-2,6-DIAMINE | A | 2B57 | 0.8 | |
GUN | GUANINE | A,B | 1IT7 | 0.75 | |
GUN | GUANINE | A,B,C,D | 3BP1 | 0.75 | |
GUN | GUANINE | A | 1XT4 | 0.75 | |
GUN | GUANINE | A | 1ULB | 0.75 | |
GUN | GUANINE | A,B | 2I9U | 0.75 | |
GUN | GUANINE | A | 2JH9 | 0.75 | |
GUN | GUANINE | E | 1V2H | 0.75 | |
GUN | GUANINE | A | 2JHA | 0.75 | |
GUN | GUANINE | A,B,C,D | 1A95 | 0.75 | |
GUN | GUANINE | A,B,C | 1XE7 | 0.75 | |
GUN | GUANINE | A,B,C | 1YQQ | 0.75 | |
GUN | GUANINE | A,B | 1D6A | 0.75 | |
GUN | GUANINE | A | 1WET | 0.75 | |
GUN | GUANINE | A | 2PUF | 0.75 | |
GUN | GUANINE | A,B,D,F,G,H, I,J,L,M,O,P | 1SQL | 0.75 | |
GUN | GUANINE | A,B,C | 1VMK | 0.75 | |
GUN | GUANINE | A,B,C | 1YQU | 0.75 | |
GUN | GUANINE | A | 2JHC | 0.75 | |
GUN | GUANINE | A | 2JH8 | 0.75 | |
GUN | GUANINE | A | 2JHP | 0.75 | |
GUN | GUANINE | A | 2PUC | 0.75 | |
GUN | GUANINE | A,B,C,D,E,F, G,H | 1XY3 | 0.75 | |
GUN | GUANINE | A,B,C,D,E,F | 2O74 | 0.75 | |
GUN | GUANINE | A | 2PWU | 0.75 | |
GUN | GUANINE | A | 2OOD | 0.75 | |
GUN | GUANINE | A | 2POT | 0.75 | |
CFP | 6-CHLORO-2-FLUOROPURINE | A | 1JDJ | 0.72 | |
DX4 | 2-amino-1,9-dihydro-6H-purine-6- thione | A,B,C,D | 3BMG | 0.81 | |
ADZ | 9-METHYL-9H-PURIN-6-AMINE | A | 1O9U | 0.72 | |
6GU | 6-chloroguanine | A | 3FO4 | 0.75 | |
6GU | 6-chloroguanine | A | 3GOG | 0.75 | |
6GU | 6-chloroguanine | A | 3GER | 0.75 | |
HPA | HYPOXANTHINE | A | 1PNR | 0.75 | |
HPA | HYPOXANTHINE | A | 2EET | 0.75 | |
HPA | HYPOXANTHINE | A | 2PUG | 0.75 | |
HPA | HYPOXANTHINE | A | 1A9T | 0.75 | |
HPA | HYPOXANTHINE | A | 1BDI | 0.75 | |
HPA | HYPOXANTHINE | A | 1QQA | 0.75 | |
HPA | HYPOXANTHINE | A | 1VFN | 0.75 | |
HPA | HYPOXANTHINE | A | 1VPW | 0.75 | |
HPA | HYPOXANTHINE | A | 2EEV | 0.75 | |
HPA | HYPOXANTHINE | A | 1A9Q | 0.75 | |
HPA | HYPOXANTHINE | A | 1A9R | 0.75 | |
HPA | HYPOXANTHINE | A | 2EEU | 0.75 | |
HPA | HYPOXANTHINE | A,B,C,D,E,F, G,H | 2W55 | 0.75 | |
HPA | HYPOXANTHINE | A | 1JFT | 0.75 | |
HPA | HYPOXANTHINE | A | 2EEW | 0.75 | |
HPA | HYPOXANTHINE | A | 2PUD | 0.75 | |
HPA | HYPOXANTHINE | A | 1QP7 | 0.75 | |
HPA | HYPOXANTHINE | A,M | 1ZAY | 0.75 | |
HPA | HYPOXANTHINE | A | 1JH9 | 0.75 | |
HPA | HYPOXANTHINE | A | 2EES | 0.75 | |
HPA | HYPOXANTHINE | A | 1JFS | 0.75 | |
HPA | HYPOXANTHINE | A | 1QP0 | 0.75 | |
HPA | HYPOXANTHINE | A | 1QPZ | 0.75 | |
HPA | HYPOXANTHINE | A | 1U8D | 0.75 | |
HPA | HYPOXANTHINE | A | 1QQB | 0.75 | |
HPA | HYPOXANTHINE | A | 1BDH | 0.75 | |
HPA | HYPOXANTHINE | A,B,C,D,E,F, G,H | 2W3R | 0.75 | |
HPA | HYPOXANTHINE | A | 1QP4 | 0.75 | |
HPA | HYPOXANTHINE | A,B,C | 3FNQ | 0.75 | |
ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 1W1Q | 0.71 | |
ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 2EXM | 0.71 | |
2BP | 9H-purin-2-amine | A | 3G4M | 0.72 | |
39A | 6-AMINO-3,9-DIMETHYL-9H-PURIN-3- IUM | A,B | 1PU7 | 0.71 | |
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 | |
6MP | 6-METHYLPURINE | A,B,C | 1OU4 | 0.72 | |
6MP | 6-METHYLPURINE | A,B,C | 1OTY | 0.72 | |
6MP | 6-METHYLPURINE | A | 2PUA | 0.72 | |
BCP | 2-BROMO-6-CHLORO-PURINE | A | 1M66 | 0.72 | |
BCP | 2-BROMO-6-CHLORO-PURINE | A | 1N1G | 0.72 | |
M02 | 1-(9H-purin-6-yl)piperidin-4-amine | A | 2VNY | 0.7 | |
4MZ | 4-METHYLIMIDAZOLE | A | 1DTM | 0.75 | |
4MZ | 4-METHYLIMIDAZOLE | A,B | 1KEQ | 0.75 | |
4MZ | 4-METHYLIMIDAZOLE | A | 2FNN | 0.75 | |
4MZ | 4-METHYLIMIDAZOLE | A | 1MOO | 0.75 | |
4MZ | 4-METHYLIMIDAZOLE | A | 1G0E | 0.75 | |
290 | 6-methyl-3,9-dihydro-2H-purin-2- one | A,B,C,I,J,K | 3B9J | 0.76 | |
203 | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU3 | 0.73 | |
203 | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU0 | 0.73 | |
5AC | 5-amino-1H-imidazole-4-carboxamide | A,B | 3CL8 | 0.81 | |
ADK | 3-METHYL-3H-PURIN-6-YLAMINE | A,B | 2OFI | 0.76 | |
ADK | 3-METHYL-3H-PURIN-6-YLAMINE | A | 1P7M | 0.76 | |
BP1 | 6-BROMO-7H-PURINE | A,B,C | 1S2I | 0.74 | |
HA8 | N6-(buta-2,3-dienyl)adenine | A | 3C0P | 0.71 | |
ADE | ADENINE | A | 1WEI | 0.8 | |
ADE | ADENINE | A | 2QLU | 0.8 | |
ADE | ADENINE | A,B | 2H8G | 0.8 | |
ADE | ADENINE | A,B | 1HQC | 0.8 | |
ADE | ADENINE | A | 1AHA | 0.8 | |
ADE | ADENINE | A,B,C,D,E,F, G,H | 1BJQ | 0.8 | |
ADE | ADENINE | A,B,D | 1YXM | 0.8 | |
ADE | ADENINE | A | 1CB0 | 0.8 | |
ADE | ADENINE | A,B | 2QTT | 0.8 | |
ADE | ADENINE | A,B,C | 1XE8 | 0.8 | |
ADE | ADENINE | A,B | 1M2T | 0.8 | |
ADE | ADENINE | A | 2P8N | 0.8 | |
ADE | ADENINE | A,B,C | 2PQJ | 0.8 | |
ADE | ADENINE | A,B,C | 1VRL | 0.8 | |
ADE | ADENINE | A,B | 3BSF | 0.8 | |
ADE | ADENINE | X | 1Y26 | 0.8 | |
ADE | ADENINE | A,B | 1ZN7 | 0.8 | |
ADE | ADENINE | A,B | 1Z5N | 0.8 | |
ADE | ADENINE | A | 1QB7 | 0.8 | |
ADE | ADENINE | A | 1LU1 | 0.8 | |
ADE | ADENINE | A,B | 1Q8Y | 0.8 | |
ADE | ADENINE | A | 2QES | 0.8 | |
ADE | ADENINE | A | 2PUB | 0.8 | |
ADE | ADENINE | A | 1Z8D | 0.8 | |
ADE | ADENINE | A | 1JH8 | 0.8 | |
ADE | ADENINE | A | 1QD2 | 0.8 | |
ADE | ADENINE | A | 2ICS | 0.8 | |
ADE | ADENINE | A | 1IFS | 0.8 | |
ADE | ADENINE | A | 1NLI | 0.8 | |
ADE | ADENINE | A,B | 1D2A | 0.8 | |
ADE | ADENINE | A | 1GIU | 0.8 | |
ADE | ADENINE | A | 1J1R | 0.8 | |
ADE | ADENINE | A | 2QET | 0.8 | |
ADE | ADENINE | A,B,C | 1OD4 | 0.8 | |
ADE | ADENINE | A,B | 1QCI | 0.8 | |
ADE | ADENINE | A,B,C,D,E,F | 2GA4 | 0.8 | |
ADE | ADENINE | A,B | 1JYS | 0.8 | |
ADE | ADENINE | A | 1LPD | 0.8 | |
ADE | ADENINE | A,B | 1OD2 | 0.8 | |
ADE | ADENINE | A | 1WTA | 0.8 | |
ADE | ADENINE | A,B,C | 1S2D | 0.8 | |
ADE | ADENINE | A | 1MUD | 0.8 | |
ADE | ADENINE | A | 2PUE | 0.8 |