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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02471510

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.75
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
DGADIACYL GLYCEROLA,C2NLJ0.82
DGADIACYL GLYCEROLA,C1ZWI0.82
DGADIACYL GLYCEROLB,C1R3J0.82
DGADIACYL GLYCEROLC1K4D0.82
DGADIACYL GLYCEROLA,C1K4C0.82
DGADIACYL GLYCEROLC1R3K0.82
DGADIACYL GLYCEROLB,C1S5H0.82
DGADIACYL GLYCEROLC,H1R3I0.82
DGADIACYL GLYCEROLB,C1R3L0.82
DKADECANOIC ACIDA1TFJ0.71
DKADECANOIC ACIDA1WBE0.71
DKADECANOIC ACIDA1E7E0.71
DKADECANOIC ACIDA1XT70.71
DKADECANOIC ACIDA1W660.71
DKADECANOIC ACIDA,B,C,D1F910.71
DKADECANOIC ACIDA1T5N0.71
DKADECANOIC ACIDA,B,C,D,E,F,
G,H,J,K,L,M,
N,P,Q,R		1P8J0.71
DKADECANOIC ACIDA3DFK0.71
DKADECANOIC ACIDA2VDB0.71
DKADECANOIC ACIDA2FVF0.71
DKADECANOIC ACIDA,B,C,D1GXS0.71
DKADECANOIC ACIDA1T5M0.71
DKADECANOIC ACIDA1FK00.71
DKADECANOIC ACIDA1TF00.71
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.71
DCRicosanoic acidA,B,C,D3EUT0.75
AZ1AZELAIC ACIDA,B1TUF0.71
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.75
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.84
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.84
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.84
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.72
4OX4-OXODECANEDIOIC ACIDA1GJP0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.82
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.82
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.82
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.84
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.84
DAOLAURIC ACIDA,B2B5S0.71
DAOLAURIC ACID1,51V9U0.71
DAOLAURIC ACIDA2AF90.71
DAOLAURIC ACIDA2GFY0.71
DAOLAURIC ACIDA2GMC0.71
DAOLAURIC ACID11FPN0.71
DAOLAURIC ACIDA1QFF0.71
DAOLAURIC ACIDA,B1MA00.71
DAOLAURIC ACIDA,B,C1TJJ0.71
DAOLAURIC ACIDA2AGC0.71
DAOLAURIC ACID1,41AYM0.71
DAOLAURIC ACID1,41AYN0.71
DAOLAURIC ACIDA,B,C,D2BZ30.71
DAOLAURIC ACIDA2OVD0.71
DAOLAURIC ACIDA,B2ALG0.71
DAOLAURIC ACIDA,B,C,D3FXI0.71
DAOLAURIC ACIDA1FK10.71
DAOLAURIC ACIDA,B,C,D1EK40.71
DAOLAURIC ACIDA,B2QHD0.71
DAOLAURIC ACIDA2GMD0.71
DAOLAURIC ACIDA,B2GRX0.71
DAOLAURIC ACIDA1QFG0.71
DAOLAURIC ACIDA,B,C2AG20.71
DAOLAURIC ACIDA,E3DPR0.71
DAOLAURIC ACIDA,B,C,D2BYZ0.71
DAOLAURIC ACIDA1E7F0.71
DAOLAURIC ACIDA,B1HZP0.71
DAOLAURIC ACIDA,B,C,D2BYX0.71
DAOLAURIC ACIDA1S8G0.71
DAOLAURIC ACIDA,B,C,D1M7W0.71
DAOLAURIC ACIDA2EVD0.71
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.72
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.72
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.72
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
CS2D-MANNONIC ACIDA,B,C,D2QJM0.71
CS2D-MANNONIC ACIDA,B3DBN0.71
DECSEBACIC ACIDA,B,C,D1CLS0.71
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.78
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.76
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.74
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.74
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.74
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.74
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.74