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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02815111

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.7
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.75
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.71
NIONICOTINIC ACIDA1JHQ0.73
NIONICOTINIC ACIDA1L5L0.73
NIONICOTINIC ACIDA2F7F0.73
NIONICOTINIC ACIDA1L5K0.73
NIONICOTINIC ACIDA1JHY0.73
NIONICOTINIC ACIDA,B1FSL0.73
NIONICOTINIC ACIDA1L5M0.73
NIONICOTINIC ACIDA1LH60.73
NIONICOTINIC ACIDA1JHO0.73
NIONICOTINIC ACIDA3CI80.73
NIONICOTINIC ACIDA,B,C,D1ICU0.73
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.73
NIONICOTINIC ACIDA1JHA0.73
NIONICOTINIC ACIDA1JHV0.73
NIONICOTINIC ACIDA1L4N0.73
NIONICOTINIC ACIDA2LH60.73
NIONICOTINIC ACIDA1D0V0.73
NIONICOTINIC ACIDA,B,C,D1ICV0.73
NIONICOTINIC ACIDA,B1ICR0.73
NIONICOTINIC ACIDA1JHR0.73
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.7
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.74
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.74
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.74
2823-methoxypyridineX2RBZ0.71
NNRNicotinamide ribosideA2QT00.71
NNRNicotinamide ribosideA2QT10.71
PY7PYRIDIN-4-YLMETHANOLA2EUR0.84
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE
A,B1JES0.83
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.7
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.7
PYF3-PYRIDINYLCARBINOLA,B1R160.83
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.77
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.7
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.71