Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372462
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 |
6MC | CIS-N6-METHYL-DEOXY-ADENOSINE-5'- MONOPHOSPHATE | B | 1OQ2 | 0.71 | |
CL9 | 2-chloro-2'-deoxyadenosine | A,B | 2ZIA | 0.72 | |
CL9 | 2-chloro-2'-deoxyadenosine | A,B | 2ZI9 | 0.72 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.77 | |
XAR | [(1R,4S,6S)-4-(6-AMINO-9H-PURIN- 9-YL)-6-HYDROXYCYCLOHEX-2-EN-1- YL]METHYL DIHYDROGEN PHOSPHATE | A,B | 2P8D | 0.89 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A,D | 2BTE | 0.74 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A,B | 2H0X | 0.74 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A,B | 2GCS | 0.74 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A | 1OBC | 0.74 | |
2VA | 2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE | A | 1WNZ | 0.71 | |
M8E | 5'-{[4-(aminooxy)butyl](methyl)amino}- 5'-deoxy-8-ethenyladenosine | A,B | 3DZ6 | 0.72 | |
DBM | 9-(6-DEOXY-BETA-D-ALLOFURANOSYL)- 6-METHYLPURINE | A,B,C | 1OV6 | 0.7 | |
2BU | A | 1U6C | 0.71 | ||
2BU | A | 1U6O | 0.71 | ||
IHE | 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE | A | 1U9V | 0.72 | |
ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 1W1Q | 0.7 | |
ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 2EXM | 0.7 | |
ARJ | (2S,3R,5R)-3-(6-amino-9H-purin- 9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone | A,B,C,D | 2ZJ1 | 0.73 | |
EH9 | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan- 2-ol | A | 2Z7G | 0.78 | |
3L1 | (2S,3R,5S)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol | A | 2ZI4 | 0.73 | |
3L1 | (2S,3R,5S)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol | A,B,C,D | 2ZI5 | 0.73 | |
ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B,C,D | 2FLH | 0.75 | |
ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B,C,D | 3C0V | 0.75 | |
ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A | 2QIM | 0.75 | |
ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B | 3D7W | 0.75 | |
ZEA | (2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A | 1W1R | 0.75 | |
NOC | 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL- CYCLOPENTANE-1,2-DIOL | A | 1LI4 | 0.77 | |
TAL | 9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)- 6-METHYLPURINE | A,B,C | 1OUM | 0.7 | |
TXD | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | A | 2R14 | 0.71 | |
TXD | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | A,B,C | 2OO5 | 0.71 | |
TXD | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | A | 3GX9 | 0.71 | |
OLO | OLOMOUCINE | A | 4ERK | 0.75 | |
OLO | OLOMOUCINE | C | 1W0X | 0.75 | |
M02 | 1-(9H-purin-6-yl)piperidin-4-amine | A | 2VNY | 0.71 | |
PPZ | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL | A,B | 1I5V | 0.77 | |
AP9 | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | B | 2F2C | 0.71 | |
2FA | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL | A | 1Z35 | 0.7 | |
2FA | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL | A | 2PKK | 0.7 | |
2FA | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL | A,B,C,D | 2ZJ0 | 0.7 | |
2FA | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL | A,B,C | 1PK9 | 0.7 | |
CDY | 2-CHLORODIDEOXYADENOSINE | A | 1QYE | 0.73 | |
CK9 | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}- 9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL | X | 2A0C | 0.71 | |
MHZ | 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE | A | 1I79 | 0.7 | |
APS | 9-HYDROXYPROPYLADENINE, S-ISOMER | A,B | 1E2I | 0.72 | |
AAT | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE | A,C,D | 1JQ3 | 0.75 | |
AAT | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE | A,B,C | 2I7C | 0.75 | |
2FD | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)- 2-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-OL | A,B,C | 3GGS | 0.72 | |
2FD | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)- 2-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-OL | A | 1Z34 | 0.72 | |
2FD | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)- 2-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-OL | A,B,C | 1PKE | 0.72 | |
ARP | 9-HYDROXYPROPYLADENINE, R-ISOMER | A,B | 1E2I | 0.72 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.77 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.77 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.77 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.77 | |
A8M | 5'-[(3-aminopropyl)(methyl)amino]- 5'-deoxy-8-methyladenosine | A,B | 3DZ2 | 0.73 | |
301 | N6-(penta-2,3-dienyl)adenine | A | 3BW7 | 0.71 | |
3D1 | (2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol | A,B,C | 1S2G | 0.73 | |
3D1 | (2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol | A,B,C | 2C5H | 0.73 | |
3D1 | (2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol | A,B | 2Z3M | 0.73 | |
3D1 | (2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol | A,B,C,D | 2ZI6 | 0.73 | |
3D1 | (2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol | A,B | 2ZI3 | 0.73 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2IZU | 0.72 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A,B | 1YOM | 0.72 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2Z7S | 0.72 | |
M8M | 5'-{[2-(aminooxy)ethyl](methyl)amino}- 5'-deoxy-8-methyladenosine | A,B | 3DZ5 | 0.71 | |
XAD | 9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA- D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN- 6-AMINE | A,B | 2H9S | 0.73 | |
6HA | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (ADENIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | B | 1EJZ | 0.73 | |
6HA | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (ADENIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | A,B,C,D,E,G | 2BJ6 | 0.73 | |
6HA | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (ADENIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | A | 481D | 0.73 | |
6HA | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (ADENIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | A | 1D7Z | 0.73 | |
5AS | 5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE | A | 1RZY | 0.71 | |
GMC | (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)- 9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO- 3-FURANOL | A | 1GPJ | 0.73 | |
ADN | ADENOSINE | A | 2JC9 | 0.71 | |
ADN | ADENOSINE | A | 1PG2 | 0.71 | |
ADN | ADENOSINE | A,B,C | 2ZBV | 0.71 | |
ADN | ADENOSINE | A | 2DOJ | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 1RMT | 0.71 | |
ADN | ADENOSINE | A,B | 2C49 | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 3G1U | 0.71 | |
ADN | ADENOSINE | A,B | 1Q97 | 0.71 | |
ADN | ADENOSINE | A | 1N3Z | 0.71 | |
ADN | ADENOSINE | E | 1FMO | 0.71 | |
ADN | ADENOSINE | A,B | 1HO5 | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 2ZBU | 0.71 | |
ADN | ADENOSINE | A | 1MRG | 0.71 | |
ADN | ADENOSINE | A,B,C | 2EJF | 0.71 | |
ADN | ADENOSINE | A | 1MUO | 0.71 | |
ADN | ADENOSINE | A,B,C,D,E,F | 1VHW | 0.71 | |
ADN | ADENOSINE | A,B,C,D,E,F | 1JDV | 0.71 | |
ADN | ADENOSINE | A,B | 1UAY | 0.71 | |
ADN | ADENOSINE | A | 1LIK | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 3CE6 | 0.71 | |
ADN | ADENOSINE | A,B | 2EJG | 0.71 | |
ADN | ADENOSINE | A | 2PKM | 0.71 | |
ADN | ADENOSINE | A | 1YI4 | 0.71 | |
ADN | ADENOSINE | A | 1LII | 0.71 | |
ADN | ADENOSINE | A | 2EVA | 0.71 | |
ADN | ADENOSINE | A | 2Q6K | 0.71 | |
ADN | ADENOSINE | A | 1BX4 | 0.71 | |
ADN | ADENOSINE | A,B | 2AC7 | 0.71 | |
ADN | ADENOSINE | A,B | 2B8J | 0.71 | |
ADN | ADENOSINE | A | 2FQY | 0.71 | |
ADN | ADENOSINE | A | 1Z37 | 0.71 | |
ADN | ADENOSINE | A | 1MRJ | 0.71 | |
ADN | ADENOSINE | A,B,C | 1PK7 | 0.71 | |
ADN | ADENOSINE | A | 2PGF | 0.71 | |
ADN | ADENOSINE | A,B | 2ZGW | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 1JG3 | 0.71 | |
ADN | ADENOSINE | A,B,C | 1WU8 | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 1XWF | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 1V8B | 0.71 | |
ADN | ADENOSINE | A | 3REQ | 0.71 | |
ADN | ADENOSINE | A,B | 2A8T | 0.71 | |
ADN | ADENOSINE | A | 1JG2 | 0.71 | |
ADN | ADENOSINE | A,B | 2Q83 | 0.71 | |
ADN | ADENOSINE | A,B | 2B82 | 0.71 | |
ADN | ADENOSINE | A,B,C,D,E,F | 2GL0 | 0.71 | |
ADN | ADENOSINE | A,B | 2W03 | 0.71 | |
ADN | ADENOSINE | A,B,C,D | 1D4F | 0.71 | |
ADN | ADENOSINE | A,B | 2OA1 | 0.71 | |
ADN | ADENOSINE | A | 1DGM | 0.71 | |
ADN | ADENOSINE | A,B,C,D,E,F | 1ODI | 0.71 | |
ADN | ADENOSINE | A | 3FUU | 0.71 | |
A66 | 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.72 | |
3BH | (2R,3R,4S,5R)-2-(6,8-diaminopurin- 9-yl)-5-(hydroxymethyl)oxolane- 3,4-diol | A | 3FZH | 0.71 | |
CFB | 2-CHLORO-9-(2-DEOXY-2-FLUORO-B - D-ARABINOFURANOSYL)-9H-PURIN-6- AMINE | A | 2A7Q | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,B | 1DA3 | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,C,D,F | 1G38 | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,B | 4DNB | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,C,E,G | 3FMT | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,B,C,D,E,F | 2IBS | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,C | 2IH5 | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,C,D,F | 2IH2 | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,B,C,D,E,F | 2NP6 | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,B,C,D,E,F | 2IBT | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,B,C,D | 2AOR | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,C,D,F | 2IH4 | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | C,F | 1LRR | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A,B,C | 2NP7 | 0.71 | |
6MA | N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | B | 1J3E | 0.71 | |
I17 | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.7 | |
54H | 5'-O-(D-valylsulfamoyl)adenosine | A,B | 3COZ | 0.7 | |
XGL | [(1S,4R,6R)-6-HYDROXY-4-(GUANIN- 9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | A,B | 2H0N | 0.72 | |
5AD | 5'-DEOXYADENOSINE | A,B,C,D | 1I9C | 0.71 | |
5AD | 5'-DEOXYADENOSINE | B | 1XRS | 0.71 | |
5AD | 5'-DEOXYADENOSINE | A,B,C | 2CC2 | 0.71 | |
5AD | 5'-DEOXYADENOSINE | A,B | 2FB3 | 0.71 | |
5AD | 5'-DEOXYADENOSINE | A | 3CI3 | 0.71 | |
5AD | 5'-DEOXYADENOSINE | A,B,C,D | 4REQ | 0.71 | |
M01 | 1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine | A | 2VNW | 0.73 | |
XX1 | N~6~-7H-PURIN-6-YL-L-LYSINE | A,B,C,D | 2OQF | 0.72 | |
MAO | A | 1I72 | 0.71 | ||
XYA | 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL | A,B | 2Z3K | 0.71 | |
XYA | 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL | A,B,C | 1PR6 | 0.71 | |
XYA | 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL | A | 1ZTF | 0.71 | |
A40 | A | 1D35 | 0.71 | ||
A40 | A | 2D34 | 0.71 | ||
6MT | TRANS-N6-METHYL-DEOXY-ADENOSINE- 5'-MONOPHOSPHATE | A,B | 2KAL | 0.71 | |
6MT | TRANS-N6-METHYL-DEOXY-ADENOSINE- 5'-MONOPHOSPHATE | B | 1UAB | 0.71 | |
3AD | 3'-DEOXYADENOSINE | A,B | 3B4B | 0.72 | |
3AD | 3'-DEOXYADENOSINE | A,B | 3B4C | 0.72 | |
3AD | 3'-DEOXYADENOSINE | A,B | 1FA0 | 0.72 | |
6IA | N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE | A,B,E,F | 3EPL | 0.72 | |
6IA | N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE | X,Y | 2DLC | 0.72 | |
RAB | 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL- TETRAHYDRO-FURAN-3,4-DIOL | A,B,C | 1PW7 | 0.71 | |
RAB | 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL- TETRAHYDRO-FURAN-3,4-DIOL | A,B | 3GLQ | 0.71 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.7 | |
5F1 | 5'-FLUORO-2',5'-DIDEOXYADENOSINE | A,B,C | 2C5B | 0.71 | |
N8M | 5'-deoxy-5'-(dimethylamino)-8-methyladenosine | A,B | 3H0W | 0.72 | |
TXP | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE | A,B,C | 2OOR | 0.7 | |
ZEZ | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol | A,B | 3D7W | 0.75 | |
MDR | 9-(2-DEOXY-BETA-D-RIBOFURANOSYL)- 6-METHYLPURINE | A,B,C | 1PR2 | 0.71 | |
MDR | 9-(2-DEOXY-BETA-D-RIBOFURANOSYL)- 6-METHYLPURINE | A,B,C | 1OVG | 0.71 | |
ADC | (1'R,2'S)-9-(2-HYDROXY-3'-KETO- CYCLOPENTEN-1-YL)ADENINE | A,B | 1A7A | 0.79 | |
2AR | 2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE | A | 1EXL | 0.78 | |
2AR | 2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE | A,B | 1FYI | 0.78 | |
XAL | [(1S,4R,6R)-6-HYDROXY-4-(ADENIN- 9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | A,B | 2H0N | 0.89 | |
VMS | 5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE | B | 1WK8 | 0.7 |