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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03400501

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TENTRIETHYL PHOSPHATEA1EYW0.7
16P3,6,9,12,15,18-HEXAOXAICOSANEA,B2Q5A0.7
P25PENTYL TRIHYDROGEN DIPHOSPHATEA,B1T9B0.73
P25PENTYL TRIHYDROGEN DIPHOSPHATEA,B,C,D1T9D0.73
PE6PHOSPHORYL-HEXAETHYLENE GLYCOLC1G1N0.79
IPRISOPENTYL PYROPHOSPHATEA,B,C1YHM0.71
IPRISOPENTYL PYROPHOSPHATEA2ABB0.71
IPRISOPENTYL PYROPHOSPHATEA,B1RQI0.71
IPRISOPENTYL PYROPHOSPHATEA,B1RQJ0.71
IPRISOPENTYL PYROPHOSPHATEA,B3DYF0.71
IPRISOPENTYL PYROPHOSPHATEA2ABA0.71
IPRISOPENTYL PYROPHOSPHATEA,B2FOR0.71
IPRISOPENTYL PYROPHOSPHATEA1ZW50.71
HEEN-HEXYLPHOSPHONATE ETHYL ESTERA5TGL0.71
HEEN-HEXYLPHOSPHONATE ETHYL ESTERA1XZL0.71
HEEN-HEXYLPHOSPHONATE ETHYL ESTERA,B,C,D,E,F1LBS0.71
P3G3,6,9,12,15-PENTAOXAHEPTADECANEA1QZ90.7
P3G3,6,9,12,15-PENTAOXAHEPTADECANEA,B2GYV0.7
DPFDIETHYL HYDROGEN PHOSPHATEA2R1M0.73
DPFDIETHYL HYDROGEN PHOSPHATEA2R1K0.73
DPFDIETHYL HYDROGEN PHOSPHATEA,B3CAK0.73
P23PROPYL TRIHYDROGEN DIPHOSPHATEA,B1T9A0.71
P23PROPYL TRIHYDROGEN DIPHOSPHATEA,B1T9C0.71
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B3EEA0.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A3G7P0.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B3GP50.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B,C,D3EO40.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A3H920.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B,C3CNX0.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A2VLA0.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B3F290.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B3D1I0.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B,C,D1D1J0.7
PG61-(2-METHOXY-ETHOXY)-2-{2-[2-(2-
METHOXY-ETHOXY]-ETHOXY}-ETHANE
A,B2ZO50.7
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE
A,B,C,D1D1J0.7
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE
A1IWN0.7
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE
A3EEH0.7
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE
A,B,C,D,E,F,
G,H,I,J,K,L
3GVD0.7
PG51-METHOXY-2-[2-(2-METHOXY-ETHOXY]-
ETHANE
A,B,C,D,E,F,
G,H,I,J,K,L
3D010.7
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C3BBK0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C3BBI0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C3GS80.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,C3GS50.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C3B910.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B3B5A0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C2P7E0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C3B580.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C,D3GS10.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEB,C3B5F0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,D2P7D0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C3B5S0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,C2NPY0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEB3CQS0.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B3CR10.76
S9L2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATEA,B,C3BBM0.76