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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03242515

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCP1-[((1E)-{3-HYDROXY-2-METHYL-5-
[(PHOSPHONOOXY)METHYL]PYRIDIN-4-
YL}METHYLENE)AMINO]CYCLOPENTYLPHOSPHONIC ACID		A1M0N0.73
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.77
LLF(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A2G6W0.73
2862-ethenyl-1-methylpyridiniumX2RC20.8
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B2VD90.71
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B1BD00.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.75
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL		A1QXY0.8
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A1RFT0.72
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A,B2Z9V0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.71
FOO(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}-2-IMINOBUT-3-ENOIC ACID		B2J9Y0.72
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID		A1M0P0.73
P3D(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2PLK0.74
P3T(4-{[(4-AMINOBUTYL)AMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2PLJ0.73
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE		A1SPA0.73
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE		A1ASC0.73
PYF3-PYRIDINYLCARBINOLA,B1R160.77
HEN2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-
PENT-3-ENOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		1I410.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.78
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.76
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
MPM(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID		A1M0O0.74
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B3GZC0.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GJ40.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GM90.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEG0.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEI0.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FZ80.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F1PMO0.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FSL0.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2CFB0.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D3GZD0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.77
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.77
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE		A,B1JES0.72
PFM1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-
4-PYRIDOXAL-5-OXO-6-HEPTENATE		A,B,C2OAT0.7
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.7
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B2F170.71
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B3D2V0.71
2823-methoxypyridineX2RBZ0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1MDO0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2YRI0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F2EJ00.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3FZ60.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2R2N0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1ZC90.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2ZC00.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMR0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB30.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1KTA0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZU0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1UU10.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2Q7W0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2GSA0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1YIY0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Y0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2HOZ0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1FG70.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3GSB0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QA30.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3BWN0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZK0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2F8J0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2AAT0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2CJG0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QBT0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMS0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2E7U0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1A0G0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2C810.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C2ZSM0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIB0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Z0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1BKG0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2FNU0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMQ0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIC0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2EPJ0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB20.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZS0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1W7N0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2ZSL0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA3BS80.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1UU20.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1XQL0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C3CQ50.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B9AAT0.73
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIA0.73
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A,B2VD90.74
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A,B1FTX0.74
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A1M0Q0.74
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.7
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.74
P0P[4-(DIHYDROXYMETHYL)-5-HYDROXY-
6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2GMS0.73
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.71
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1HO40.74
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D,E,F,
G,H		3F4N0.74
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1SZR0.74
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.76
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.7
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.74
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
33P{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-
PROPYL}-PHOSPHONIC ACID		A1LC80.72