Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004570
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 |
APS | 9-HYDROXYPROPYLADENINE, S-ISOMER | A,B | 1E2I | 0.73 |  |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.73 | |
| 9DA | 9-DEAZAADENINE | A | 1L1Q | 0.73 | |
BCP | 2-BROMO-6-CHLORO-PURINE | A | 1M66 | 0.81 | |
| BCP | 2-BROMO-6-CHLORO-PURINE | A | 1N1G | 0.81 | |
3D3 | 2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE | A | 2CGX | 0.76 | |
3MA | 6-AMINO-3-METHYLPURINE | A | 3MAG | 0.86 | |
ARP | 9-HYDROXYPROPYLADENINE, R-ISOMER | A,B | 1E2I | 0.73 | |
PPZ | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL | A,B | 1I5V | 0.73 | |
BOA | 2-BROMO-6-HYDROXY-PURINE | A | 1M67 | 0.72 | |
6GO | 6-O-methylguanine | A | 3FO6 | 0.72 | |
| 6GO | 6-O-methylguanine | A | 3GES | 0.72 | |
M1A | 6-AMINO-1-METHYLPURINE | A | 1B42 | 0.86 | |
NSP | 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN- 4-AMINE | A,B | 1T9B | 0.72 | |
| NSP | 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN- 4-AMINE | I | 1E80 | 0.72 | |
L21 | 3-(3-methylbut-2-en-1-yl)-3H-purin- 6-amine | A,B | 2W6Z | 0.74 | |
LG3 | PYRIMIDINE-2,4-DIAMINE | A | 2EUN | 0.74 | |
PUR | PURINE RIBOSIDE | A | 1FKW | 0.72 | |
| PUR | PURINE RIBOSIDE | A | 1UIP | 0.72 | |
M02 | 1-(9H-purin-6-yl)piperidin-4-amine | A | 2VNY | 0.82 | |
ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B,C,D | 2FLH | 0.77 | |
| ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B,C,D | 3C0V | 0.77 | |
| ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A | 2QIM | 0.77 | |
| ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B | 3D7W | 0.77 | |
| ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A | 1W1R | 0.77 | |
M01 | 1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine | A | 2VNW | 0.8 | |
LGA | PYRIMIDIN-2-AMINE | A | 2JJC | 0.71 | |
ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 1W1Q | 0.84 | |
| ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 2EXM | 0.84 | |
301 | N6-(penta-2,3-dienyl)adenine | A | 3BW7 | 0.85 | |
6AP | 9H-PURINE-2,6-DIAMINE | A | 2B57 | 0.9 | |
DX4 | 2-amino-1,9-dihydro-6H-purine-6- thione | A,B,C,D | 3BMG | 0.71 | |
BP1 | 6-BROMO-7H-PURINE | A,B,C | 1S2I | 0.83 | |
XX1 | N~6~-7H-PURIN-6-YL-L-LYSINE | A,B,C,D | 2OQF | 0.71 | |
IHE | 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE | A | 1U9V | 0.73 | |
HSM | HISTAMINE | A,B | 1U18 | 0.73 | |
| HSM | HISTAMINE | A | 1AVN | 0.73 | |
| HSM | HISTAMINE | A,B | 1KAR | 0.73 | |
| HSM | HISTAMINE | A,B | 1NP1 | 0.73 | |
| HSM | HISTAMINE | A,B | 1JQD | 0.73 | |
| HSM | HISTAMINE | A,B | 2QEB | 0.73 | |
| HSM | HISTAMINE | A,B | 1QFV | 0.73 | |
| HSM | HISTAMINE | A | 1IKE | 0.73 | |
| HSM | HISTAMINE | A | 3BU1 | 0.73 | |
| HSM | HISTAMINE | A,B | 1QFT | 0.73 | |
ZEZ | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B | 3D7W | 0.77 | |
PM6 | 9H-purine-6-thiol | A,B | 3BGD | 0.81 | |
39A | 6-AMINO-3,9-DIMETHYL-9H-PURIN-3- IUM | A,B | 1PU7 | 0.81 | |
A2F | 2-fluoroadenine | A | 3GOT | 0.88 | |
| A2F | 2-fluoroadenine | A,B,C | 3GB9 | 0.88 | |
CFP | 6-CHLORO-2-FLUOROPURINE | A | 1JDJ | 0.82 | |
4MZ | 4-METHYLIMIDAZOLE | A | 1DTM | 0.77 | |
| 4MZ | 4-METHYLIMIDAZOLE | A,B | 1KEQ | 0.77 | |
| 4MZ | 4-METHYLIMIDAZOLE | A | 2FNN | 0.77 | |
| 4MZ | 4-METHYLIMIDAZOLE | A | 1MOO | 0.77 | |
| 4MZ | 4-METHYLIMIDAZOLE | A | 1G0E | 0.77 | |
2BP | 9H-purin-2-amine | A | 3G4M | 1 | |
6GU | 6-chloroguanine | A | 3FO4 | 0.84 | |
| 6GU | 6-chloroguanine | A | 3GOG | 0.84 | |
| 6GU | 6-chloroguanine | A | 3GER | 0.84 | |
EA1 | 3H-IMIDAZO[2,1-I]PURINE | A,B | 1PU8 | 0.88 | |
ADZ | 9-METHYL-9H-PURIN-6-AMINE | A | 1O9U | 0.82 | |
ADK | 3-METHYL-3H-PURIN-6-YLAMINE | A,B | 2OFI | 0.76 | |
| ADK | 3-METHYL-3H-PURIN-6-YLAMINE | A | 1P7M | 0.76 | |
6MP | 6-METHYLPURINE | A,B,C | 1OU4 | 0.84 | |
| 6MP | 6-METHYLPURINE | A,B,C | 1OTY | 0.84 | |
| 6MP | 6-METHYLPURINE | A | 2PUA | 0.84 | |
HA8 | N6-(buta-2,3-dienyl)adenine | A | 3C0P | 0.88 | |
5HG | {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID | A,B | 2G1A | 0.71 | |
ADE | ADENINE | A | 1WEI | 0.9 | |
| ADE | ADENINE | A | 2QLU | 0.9 | |
| ADE | ADENINE | A,B | 2H8G | 0.9 | |
| ADE | ADENINE | A,B | 1HQC | 0.9 | |
| ADE | ADENINE | A | 1AHA | 0.9 | |
| ADE | ADENINE | A,B,C,D,E,F, G,H | 1BJQ | 0.9 | |
| ADE | ADENINE | A,B,D | 1YXM | 0.9 | |
| ADE | ADENINE | A | 1CB0 | 0.9 | |
| ADE | ADENINE | A,B | 2QTT | 0.9 | |
| ADE | ADENINE | A,B,C | 1XE8 | 0.9 | |
| ADE | ADENINE | A,B | 1M2T | 0.9 | |
| ADE | ADENINE | A | 2P8N | 0.9 | |
| ADE | ADENINE | A,B,C | 2PQJ | 0.9 | |
| ADE | ADENINE | A,B,C | 1VRL | 0.9 | |
| ADE | ADENINE | A,B | 3BSF | 0.9 | |
| ADE | ADENINE | X | 1Y26 | 0.9 | |
| ADE | ADENINE | A,B | 1ZN7 | 0.9 | |
| ADE | ADENINE | A,B | 1Z5N | 0.9 | |
| ADE | ADENINE | A | 1QB7 | 0.9 | |
| ADE | ADENINE | A | 1LU1 | 0.9 | |
| ADE | ADENINE | A,B | 1Q8Y | 0.9 | |
| ADE | ADENINE | A | 2QES | 0.9 | |
| ADE | ADENINE | A | 2PUB | 0.9 | |
| ADE | ADENINE | A | 1Z8D | 0.9 | |
| ADE | ADENINE | A | 1JH8 | 0.9 | |
| ADE | ADENINE | A | 1QD2 | 0.9 | |
| ADE | ADENINE | A | 2ICS | 0.9 | |
| ADE | ADENINE | A | 1IFS | 0.9 | |
| ADE | ADENINE | A | 1NLI | 0.9 | |
| ADE | ADENINE | A,B | 1D2A | 0.9 | |
| ADE | ADENINE | A | 1GIU | 0.9 | |
| ADE | ADENINE | A | 1J1R | 0.9 | |
| ADE | ADENINE | A | 2QET | 0.9 | |
| ADE | ADENINE | A,B,C | 1OD4 | 0.9 | |
| ADE | ADENINE | A,B | 1QCI | 0.9 | |
| ADE | ADENINE | A,B,C,D,E,F | 2GA4 | 0.9 | |
| ADE | ADENINE | A,B | 1JYS | 0.9 | |
| ADE | ADENINE | A | 1LPD | 0.9 | |
| ADE | ADENINE | A,B | 1OD2 | 0.9 | |
| ADE | ADENINE | A | 1WTA | 0.9 | |
| ADE | ADENINE | A,B,C | 1S2D | 0.9 | |
| ADE | ADENINE | A | 1MUD | 0.9 | |
| ADE | ADENINE | A | 2PUE | 0.9 | |