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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03417754

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEF0.75
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEG0.75
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,T2JEI0.75
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEJ0.75
NOC3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
CYCLOPENTANE-1,2-DIOL
A1LI40.7
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine
A,B3DZ60.72
6GO6-O-methylguanineA3FO60.7
6GO6-O-methylguanineA3GES0.7
ADNADENOSINEA2JC90.7
ADNADENOSINEA1PG20.7
ADNADENOSINEA,B,C2ZBV0.7
ADNADENOSINEA2DOJ0.7
ADNADENOSINEA,B,C,D1RMT0.7
ADNADENOSINEA,B2C490.7
ADNADENOSINEA,B,C,D3G1U0.7
ADNADENOSINEA,B1Q970.7
ADNADENOSINEA1N3Z0.7
ADNADENOSINEE1FMO0.7
ADNADENOSINEA,B1HO50.7
ADNADENOSINEA,B,C,D2ZBU0.7
ADNADENOSINEA1MRG0.7
ADNADENOSINEA,B,C2EJF0.7
ADNADENOSINEA1MUO0.7
ADNADENOSINEA,B,C,D,E,F1VHW0.7
ADNADENOSINEA,B,C,D,E,F1JDV0.7
ADNADENOSINEA,B1UAY0.7
ADNADENOSINEA1LIK0.7
ADNADENOSINEA,B,C,D3CE60.7
ADNADENOSINEA,B2EJG0.7
ADNADENOSINEA2PKM0.7
ADNADENOSINEA1YI40.7
ADNADENOSINEA1LII0.7
ADNADENOSINEA2EVA0.7
ADNADENOSINEA2Q6K0.7
ADNADENOSINEA1BX40.7
ADNADENOSINEA,B2AC70.7
ADNADENOSINEA,B2B8J0.7
ADNADENOSINEA2FQY0.7
ADNADENOSINEA1Z370.7
ADNADENOSINEA1MRJ0.7
ADNADENOSINEA,B,C1PK70.7
ADNADENOSINEA2PGF0.7
ADNADENOSINEA,B2ZGW0.7
ADNADENOSINEA,B,C,D1JG30.7
ADNADENOSINEA,B,C1WU80.7
ADNADENOSINEA,B,C,D1XWF0.7
ADNADENOSINEA,B,C,D1V8B0.7
ADNADENOSINEA3REQ0.7
ADNADENOSINEA,B2A8T0.7
ADNADENOSINEA1JG20.7
ADNADENOSINEA,B2Q830.7
ADNADENOSINEA,B2B820.7
ADNADENOSINEA,B,C,D,E,F2GL00.7
ADNADENOSINEA,B2W030.7
ADNADENOSINEA,B,C,D1D4F0.7
ADNADENOSINEA,B2OA10.7
ADNADENOSINEA1DGM0.7
ADNADENOSINEA,B,C,D,E,F1ODI0.7
ADNADENOSINEA3FUU0.7
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.7
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE
A,B2P8D0.74
6OGA,B,C,D,E,F2HHW0.78
6OGA,B,C,D,E,F2HVH0.78
6OGA,B1D240.78
6OGA,T2J6S0.78
6OGA,C2HW30.78
6OGA,T2J6T0.78
6OGA,P,T2J6U0.78
6OGA,C2HHT0.78
6OGA,B218D0.78
6OGA,C2HHX0.78
6OGA,B2HHQ0.78
6OGA,C2HHV0.78
6OGA,B,E2O8C0.78
6OGA,B153D0.78
6OGB1T380.78
6OGA,B2HHS0.78
6OGA,C2HHU0.78
6OGA,B1D270.78
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG10.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG40.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG30.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1LON0.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA,B1LNY0.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1CG00.71
IMO6-O-PHOSPHORYL INOSINE MONOPHOSPHATEA1P9B0.71
UN45-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-
2-PYRROLIDINONE
A1H0V0.74
N206-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINEA,B,C,D1OI90.71
DOI9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-
9H-PURINE
A2DGN0.71
DOI9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-
9H-PURINE
A2GCQ0.71
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.72
R6C(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-
9H-PURIN-2-YL]AMINO}BUTAN-1-OL
A1YHJ0.79
PG7((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-
9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-
2-YL)METHYL DIHYDROGEN PHOSPHATE
A,B1R4D0.72
PG7((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-
9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-
2-YL)METHYL DIHYDROGEN PHOSPHATE
A2JAO0.72
PG7((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-
9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-
2-YL)METHYL DIHYDROGEN PHOSPHATE
B1S9O0.72
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B2Z3K0.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PR60.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1ZTF0.7
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.72
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.72
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.71
RGT2-amino-9-{5-O-[(R)-hydroxy{[(R)-
hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-
beta-D-ribofuranosyl}-9H-purin-
6-yl 5-O-phosphono-beta-D-ribofuranoside
A,B3DZI0.74
CMG6-O-CYCLOHEXYLMETHYL GUANINEA,C1H1P0.77
CMG6-O-CYCLOHEXYLMETHYL GUANINEA1E1V0.77
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL
A1GPJ0.71
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL
A,B,C1PW70.7
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL
A,B3GLQ0.7
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.7
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.73
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.73
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.72
5AD5'-DEOXYADENOSINEB1XRS0.72
5AD5'-DEOXYADENOSINEA,B,C2CC20.72
5AD5'-DEOXYADENOSINEA,B2FB30.72
5AD5'-DEOXYADENOSINEA3CI30.72
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.72
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine
A,B3DZ50.71
NOSINOSINEA,B,C1PR00.73
NOSINOSINEA,B1KIC0.73
NOSINOSINEA,B,C,D3B9X0.73
NOSINOSINEE1RCT0.73
NOSINOSINEA2FQW0.73
NOSINOSINEA1Z380.73
NOSINOSINEA1A9S0.73
NOSINOSINEA2BSX0.73
MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-
6-YL)OXY]-3-METHYL-2-BUTANOL
A1GZ80.75
N696-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-
9H-PURIN-2-AMINE
A1W8C0.74
MAOA1I720.71
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.74
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.72
3AD3'-DEOXYADENOSINEA,B3B4B0.7
3AD3'-DEOXYADENOSINEA,B3B4C0.7
3AD3'-DEOXYADENOSINEA,B1FA00.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.71
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.79
G934-{2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-1-ethyl-7-[(3S)-
piperidin-3-ylmethoxy]-1H-imidazo[4,5-
c]pyridin-4-yl}-2-methylbut-3-en-
2-ol
A,B3D0E0.71
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1D850.79
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B130D0.79
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B144D0.79
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B128D0.79