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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02281687

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.73
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.72
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.7
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2H0N0.79
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine		A,B3H0V0.7
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine		A,B3DZ60.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.73
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA8ICU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJV0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1ZYQ0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA1KEJ0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P1SKR0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJT0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C,P,Q1SL00.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEP2IMW0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,T2BQU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1SL20.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,B1QSY0.7
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1IVS0.72
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1GAX0.72
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B1DA30.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F1G380.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B4DNB0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,E,G3FMT0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBS0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C2IH50.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH20.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2NP60.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBT0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D2AOR0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH40.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEC,F1LRR0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C2NP70.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEB1J3E0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.73
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.73
OLOOLOMOUCINEA4ERK0.72
OLOOLOMOUCINEC1W0X0.72
NOC3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
CYCLOPENTANE-1,2-DIOL		A1LI40.72
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.7
CL92-chloro-2'-deoxyadenosineA,B2ZI90.7
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.74
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.74
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.7
53H5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosineA,B3COY0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.71
A40A1D350.7
A40A2D340.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.71
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE		A,B2KAL0.7
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE		B1UAB0.7
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.71
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.72
5AS5'-O-(N-ETHYL-SULFAMOYL)ADENOSINEA1RZY0.73
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.71
103A,B,C1CUL0.72
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.7
6IAN6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATEA,B,E,F3EPL0.71
6IAN6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATEX,Y2DLC0.71
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A2O0L0.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT60.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT90.7
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE		A,B,C1PR20.7
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE		A,B,C1OVG0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.73
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.73
ILAN-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA1JZQ0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.72
A43A,B,C,D,E,F363D0.7
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
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.73
6MCCIS-N6-METHYL-DEOXY-ADENOSINE-5'-
MONOPHOSPHATE		B1OQ20.7
RRCR-ROSCOVITINEA,B,C,D3DDQ0.72
RRCR-ROSCOVITINEA1YGK0.72
RRCR-ROSCOVITINEA1UNL0.72
RRCR-ROSCOVITINEA2A4L0.72
301N6-(penta-2,3-dienyl)adenineA3BW70.76
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.7
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.71
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.73
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.73
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2ZTG0.71
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA1NJ60.71
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2Z0K0.71
VMS5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINEB1WK80.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.72
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A1OBC0.72
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A2V0C0.72
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A1H3N0.72
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A1OBH0.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.71
MAOA1I720.71
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.81
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.71
54H5'-O-(D-valylsulfamoyl)adenosineA,B3COZ0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.71
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
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE		A,B2P8D0.79