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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01747870

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PFM1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-
4-PYRIDOXAL-5-OXO-6-HEPTENATE		A,B,C2OAT0.71
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B2F170.7
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B3D2V0.7
MMM(S,E)-3-HYDROXY-2-((3-HYDROXY-2-
METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-
4-YL)METHYLENEAMINO)-2-METHYLPROPANOIC ACID		A,B2YRI0.71
HEY(2E)-2-[({3-HYDROXY-2-METHYL-5-
[(PHOSPHONOOXY)METHYL]PYRIDIN-4-
YL}METHYL)AMINO]-5-PHOSPHONOPENT-
2-ENOIC ACID		A,B,C,D1V7C0.71
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID		A1M0P0.78
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		1I410.74
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.71
LLF(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A2G6W0.73
PYF3-PYRIDINYLCARBINOLA,B1R160.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.75
FOO(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}-2-IMINOBUT-3-ENOIC ACID		B2J9Y0.73
HCP1-[((1E)-{3-HYDROXY-2-METHYL-5-
[(PHOSPHONOOXY)METHYL]PYRIDIN-4-
YL}METHYLENE)AMINO]CYCLOPENTYLPHOSPHONIC ACID		A1M0N0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.74
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE		A,B1JES0.71
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.7
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.7
MPM(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID		A1M0O0.75
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.77
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B3GZC0.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GJ40.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GM90.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEG0.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEI0.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FZ80.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F1PMO0.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FSL0.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2CFB0.74
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D3GZD0.74
PY7PYRIDIN-4-YLMETHANOLA2EUR0.74
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
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A,B2VD90.76
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A,B1FTX0.76
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A1M0Q0.76
PPJN-(HYDROXY{3-HYDROXY-2-METHYL-5-
[(PHOSPHONOOXY)METHYL]PYRIDIN-4-
YL}METHYL)NORVALINE		A,B1E5E0.71
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE		A1SPA0.74
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE		A1ASC0.74
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A1RFT0.71
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A,B2Z9V0.71
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.74
QUI2-CARBOXYQUINOXALINEA1PFE0.7
QUI2-CARBOXYQUINOXALINEA,B2DA80.7
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.7
QUI2-CARBOXYQUINOXALINEA1VS20.7
QUI2-CARBOXYQUINOXALINEA1XVN0.7
QUI2-CARBOXYQUINOXALINEA,B185D0.7
QUI2-CARBOXYQUINOXALINEA1XVK0.7
QUI2-CARBOXYQUINOXALINEA,C1XVR0.7
QUI2-CARBOXYQUINOXALINEA,B3GO30.7
P1T2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]ACRYLIC ACID		A,B,C,D2HOX0.7
P1T2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]ACRYLIC ACID		A,B2J9X0.7
PLZ4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]BUTANOIC ACID		A,B2OKJ0.7
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]		A,B,D,E2BWP0.7
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]		A,B,C,D1DFO0.7
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]		A,B,C,D1LW50.7
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]		A,B,C,D1SZR0.7
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]		A,B,C,D1EJI0.7
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]		A,B1RVY0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1MDO0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2YRI0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F2EJ00.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3FZ60.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2R2N0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1ZC90.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2ZC00.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMR0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB30.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1KTA0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZU0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1UU10.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2Q7W0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2GSA0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1YIY0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Y0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2HOZ0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1FG70.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3GSB0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QA30.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3BWN0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZK0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2F8J0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2AAT0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2CJG0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QBT0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMS0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2E7U0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1A0G0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2C810.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C2ZSM0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIB0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Z0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1BKG0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2FNU0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMQ0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIC0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2EPJ0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB20.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZS0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1W7N0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2ZSL0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA3BS80.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1UU20.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1XQL0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C3CQ50.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B9AAT0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIA0.74
P0P[4-(DIHYDROXYMETHYL)-5-HYDROXY-
6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2GMS0.73
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
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.76
2862-ethenyl-1-methylpyridiniumX2RC20.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.73
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.73
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.73
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B2VD90.74
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B1BD00.74
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL		A1QXY0.78
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.73
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.74
PL2(4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F,
G,H		2NVA0.7
33P{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-
PROPYL}-PHOSPHONIC ACID		A1LC80.72