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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02674655

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PF1N-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE
A,B2QCX0.74
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2EZT0.7
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A3E9Y0.7
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A3EA40.7
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B2HH90.72
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1SBR0.72
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG00.72
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG30.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.7
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.71
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM
A1M4N0.7
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
5724-[2-(HYDROXYMETHYL)PYRIMIDIN-4-
YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE
A,B,C,D1PL60.71
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine
A,B3H0V0.71
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B1RP70.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1PO70.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A2FN30.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2BFF0.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2C310.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2BFC0.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1Q6Z0.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1PI30.73
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1YNO0.73
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L
2A8Y0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.71
1TP1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-
METHYLPYRIMIDIN-5-YL)METHYL]-2-
[(1S)-1-CARBOXY-1-HYDROXYETHYL]-
4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-
1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-
DIPHOSPHOX-1-EN-2-IUM 3-OXIDE
A,B2C3P0.72