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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03759326

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CNSHEXADECYL OCTANOATEA,B1U9O0.73
CNSHEXADECYL OCTANOATEA1U9N0.73
CN5(5S,11R)-5,8,11-trihydroxy-5,11-
dioxido-17-oxo-4,6,10,12,16-pentaoxa-
5,11-diphosphaoctadec-1-yl pentadecanoate		A,C,D,E,L,N,
O,P,W		3CX50.73
DAOLAURIC ACIDA,B2B5S0.78
DAOLAURIC ACID1,51V9U0.78
DAOLAURIC ACIDA2AF90.78
DAOLAURIC ACIDA2GFY0.78
DAOLAURIC ACIDA2GMC0.78
DAOLAURIC ACID11FPN0.78
DAOLAURIC ACIDA1QFF0.78
DAOLAURIC ACIDA,B1MA00.78
DAOLAURIC ACIDA,B,C1TJJ0.78
DAOLAURIC ACIDA2AGC0.78
DAOLAURIC ACID1,41AYM0.78
DAOLAURIC ACID1,41AYN0.78
DAOLAURIC ACIDA,B,C,D2BZ30.78
DAOLAURIC ACIDA2OVD0.78
DAOLAURIC ACIDA,B2ALG0.78
DAOLAURIC ACIDA,B,C,D3FXI0.78
DAOLAURIC ACIDA1FK10.78
DAOLAURIC ACIDA,B,C,D1EK40.78
DAOLAURIC ACIDA,B2QHD0.78
DAOLAURIC ACIDA2GMD0.78
DAOLAURIC ACIDA,B2GRX0.78
DAOLAURIC ACIDA1QFG0.78
DAOLAURIC ACIDA,B,C2AG20.78
DAOLAURIC ACIDA,E3DPR0.78
DAOLAURIC ACIDA,B,C,D2BYZ0.78
DAOLAURIC ACIDA1E7F0.78
DAOLAURIC ACIDA,B1HZP0.78
DAOLAURIC ACIDA,B,C,D2BYX0.78
DAOLAURIC ACIDA1S8G0.78
DAOLAURIC ACIDA,B,C,D1M7W0.78
DAOLAURIC ACIDA2EVD0.78
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.76
4OX4-OXODECANEDIOIC ACIDA1GJP0.76
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.71
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.71
DECSEBACIC ACIDA,B,C,D1CLS0.78
DCRicosanoic acidA,B,C,D3EUT0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.86
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.86
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.86
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.75
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.71
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.83
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.85
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.85
CN6(2R,5R,11S,14R)-2-(butanoyloxy)-
5,8,11-trihydroxy-5,11-dioxido-
16-oxo-14-[(propanoyloxy)methyl]-
4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-
1-yl undecanoate		A,C,D,E,L,N,
O,P,W		3CXH0.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.85
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.85
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.85
6ULTETRACOSYL PALMITATEA,B2H260.72
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.75
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.75
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.75
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.71
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.71
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.83
AZ1AZELAIC ACIDA,B1TUF0.78