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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03367688

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
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.72
CL92-chloro-2'-deoxyadenosineA,B2ZI90.72
PURPURINE RIBOSIDEA1FKW0.7
PURPURINE RIBOSIDEA1UIP0.7
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1D850.75
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B130D0.75
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B144D0.75
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B128D0.75
2BUA1U6C0.71
2BUA1U6O0.71
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F1M5K0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C3BBI0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B3B5A0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C1X9C0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEC,D1JBS0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B1L3M0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C2D2K0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D2FIL0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B2FIJ0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B168D0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,D2D2L0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B3CR10.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C3BBM0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,D1ZFT0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEE,F,G,H,P,Q,
R,S		2NZ40.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C2OUE0.7
A2M2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHATEA,B,C3B5S0.7
MAOA1I720.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.75
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.75
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.73
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.73
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.73
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.73
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.72
5AS5'-O-(N-ETHYL-SULFAMOYL)ADENOSINEA1RZY0.72
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.74
5AD5'-DEOXYADENOSINEB1XRS0.74
5AD5'-DEOXYADENOSINEA,B,C2CC20.74
5AD5'-DEOXYADENOSINEA,B2FB30.74
5AD5'-DEOXYADENOSINEA3CI30.74
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.74
6GO6-O-methylguanineA3FO60.73
6GO6-O-methylguanineA3GES0.73
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A2O0L0.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT60.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT90.72
6OGA,B,C,D,E,F2HHW0.74
6OGA,B,C,D,E,F2HVH0.74
6OGA,B1D240.74
6OGA,T2J6S0.74
6OGA,C2HW30.74
6OGA,T2J6T0.74
6OGA,P,T2J6U0.74
6OGA,C2HHT0.74
6OGA,B218D0.74
6OGA,C2HHX0.74
6OGA,B2HHQ0.74
6OGA,C2HHV0.74
6OGA,B,E2O8C0.74
6OGA,B153D0.74
6OGB1T380.74
6OGA,B2HHS0.74
6OGA,C2HHU0.74
6OGA,B1D270.74
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L		2A8Y0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.7
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.7
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.7
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.7
CMG6-O-CYCLOHEXYLMETHYL GUANINEA,C1H1P0.72
CMG6-O-CYCLOHEXYLMETHYL GUANINEA1E1V0.72
MHZ5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINEA1I790.72
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.7
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.7
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6I0.72
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6L0.72
5CD5'-CHLORO-5'-DEOXYADENOSINEA,B,C2C2W0.72
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.71
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1VQ70.71
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,2,3,4,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ50.71
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1VQ40.71
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
NDM7,9-DIMETHYLGUANINEA1JSZ0.71
AP7A,B1U6P0.71
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE		A,B1PWF0.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.71
EEM[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-
[[(2S,3S,4R,5R)-5-(6-aminopurin-
9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-
methyl-selanium		A3E5F0.71
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide		A,B3DZ40.71
6MZN6-METHYLADENOSINE-5'-MONOPHOSPHATEA2JRG0.71
6MZN6-METHYLADENOSINE-5'-MONOPHOSPHATEY,Z2UUB0.71
6MZN6-METHYLADENOSINE-5'-MONOPHOSPHATEY,Z2UUA0.71
6MZN6-METHYLADENOSINE-5'-MONOPHOSPHATEY,Z2UUC0.71
6MZN6-METHYLADENOSINE-5'-MONOPHOSPHATEY,Z2UU90.71
6MZN6-METHYLADENOSINE-5'-MONOPHOSPHATEA2JSG0.71
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine		A,B3H0V0.71
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide		A,B3DZ70.71
ADNADENOSINEA2JC90.71
ADNADENOSINEA1PG20.71
ADNADENOSINEA,B,C2ZBV0.71
ADNADENOSINEA2DOJ0.71
ADNADENOSINEA,B,C,D1RMT0.71
ADNADENOSINEA,B2C490.71
ADNADENOSINEA,B,C,D3G1U0.71
ADNADENOSINEA,B1Q970.71
ADNADENOSINEA1N3Z0.71
ADNADENOSINEE1FMO0.71
ADNADENOSINEA,B1HO50.71
ADNADENOSINEA,B,C,D2ZBU0.71
ADNADENOSINEA1MRG0.71
ADNADENOSINEA,B,C2EJF0.71
ADNADENOSINEA1MUO0.71
ADNADENOSINEA,B,C,D,E,F1VHW0.71
ADNADENOSINEA,B,C,D,E,F1JDV0.71
ADNADENOSINEA,B1UAY0.71
ADNADENOSINEA1LIK0.71
ADNADENOSINEA,B,C,D3CE60.71
ADNADENOSINEA,B2EJG0.71
ADNADENOSINEA2PKM0.71
ADNADENOSINEA1YI40.71
ADNADENOSINEA1LII0.71
ADNADENOSINEA2EVA0.71
ADNADENOSINEA2Q6K0.71
ADNADENOSINEA1BX40.71
ADNADENOSINEA,B2AC70.71
ADNADENOSINEA,B2B8J0.71
ADNADENOSINEA2FQY0.71
ADNADENOSINEA1Z370.71
ADNADENOSINEA1MRJ0.71
ADNADENOSINEA,B,C1PK70.71
ADNADENOSINEA2PGF0.71
ADNADENOSINEA,B2ZGW0.71
ADNADENOSINEA,B,C,D1JG30.71
ADNADENOSINEA,B,C1WU80.71
ADNADENOSINEA,B,C,D1XWF0.71
ADNADENOSINEA,B,C,D1V8B0.71
ADNADENOSINEA3REQ0.71
ADNADENOSINEA,B2A8T0.71
ADNADENOSINEA1JG20.71
ADNADENOSINEA,B2Q830.71
ADNADENOSINEA,B2B820.71
ADNADENOSINEA,B,C,D,E,F2GL00.71
ADNADENOSINEA,B2W030.71
ADNADENOSINEA,B,C,D1D4F0.71
ADNADENOSINEA,B2OA10.71
ADNADENOSINEA1DGM0.71
ADNADENOSINEA,B,C,D,E,F1ODI0.71
ADNADENOSINEA3FUU0.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.75
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.7
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZH0.71
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE		A2A7Q0.71
MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-
6-YL)OXY]-3-METHYL-2-BUTANOL		A1GZ80.75
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.74
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.74
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine		A,B3DZ60.71
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.7
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2C4T0.7
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA1Z3C0.7
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2H2E0.7
26A6N-DIMETHYLADENOSINEA2A9Y0.71
26A6N-DIMETHYLADENOSINEA2A9Z0.71
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.72
NOSINOSINEA,B,C1PR00.7
NOSINOSINEA,B1KIC0.7
NOSINOSINEA,B,C,D3B9X0.7
NOSINOSINEE1RCT0.7
NOSINOSINEA2FQW0.7
NOSINOSINEA1Z380.7
NOSINOSINEA1A9S0.7
NOSINOSINEA2BSX0.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B2Z3K0.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PR60.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1ZTF0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.7
UN45-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-
2-PYRROLIDINONE		A1H0V0.71
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B,C1PW70.71
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B3GLQ0.71
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71