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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03237272

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
KET2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID
A1MAP0.71
PYCPYRROLE-2-CARBOXYLATEA1W620.7
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.7
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.7
PYCPYRROLE-2-CARBOXYLATEA,B1W610.7
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.7
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.76
MPM(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID
A1M0O0.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B3GZC0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GJ40.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GM90.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEG0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEI0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FZ80.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F1PMO0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FSL0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2CFB0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D3GZD0.72
2823-methoxypyridineX2RBZ0.8
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
NMAN-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-2-METHYLALANINE
A1D7V0.7
3ID3H-INDOLE-5,6-DIOLA1F9B0.71
3ID3H-INDOLE-5,6-DIOLA1OYO0.71
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHS0.73
4AP4-AMINOPYRIDINEA1AEG0.71
4PY(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-
PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
E2OJF0.71
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.73
P1T2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]ACRYLIC ACID
A,B,C,D2HOX0.71
P1T2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]ACRYLIC ACID
A,B2J9X0.71
PLZ4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]BUTANOIC ACID
A,B2OKJ0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.7
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.7
PY42-[O-PHOSPHONOPYRIDOXYL]-AMINO-
BUTYRIC ACID
A1CQ60.7
PY42-[O-PHOSPHONOPYRIDOXYL]-AMINO-
BUTYRIC ACID
A1YNU0.7
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]
A,B,D,E2BWP0.71
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]
A,B,C,D1DFO0.71
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]
A,B,C,D1LW50.71
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]
A,B,C,D1SZR0.71
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]
A,B,C,D1EJI0.71
PLGN-GLYCINE-[3-HYDROXY-2-METHYL-5-
PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-
METHANE]
A,B1RVY0.71
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE
A1SPA0.72
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE
A1ASC0.72
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1HO40.71
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D,E,F,
G,H
3F4N0.71
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1SZR0.71
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O340.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O310.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O330.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O320.72
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.71
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.79
FOO(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}-2-IMINOBUT-3-ENOIC ACID
B2J9Y0.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.71
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.71
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.71
P3D(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2PLK0.74
LLF(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
A2G6W0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.79
P3T(4-{[(4-AMINOBUTYL)AMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2PLJ0.74
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.7
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.7
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
2NVA0.71
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.72
PP3ALANYL-PYRIDOXAL-5'-PHOSPHATEA1C9C0.7
PP3ALANYL-PYRIDOXAL-5'-PHOSPHATEA,B1L6F0.7
PP3ALANYL-PYRIDOXAL-5'-PHOSPHATEA,B,H,L1WC70.7
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.76
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.76
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
33P{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-
PROPYL}-PHOSPHONIC ACID
A1LC80.73
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.71
PPG4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-
2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-
4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID
A,B1CL20.7
PPG4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-
2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-
4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID
A,B,C,D,E,F,
G,H
1C7O0.7
PPG4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-
2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-
4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID
A1M7Y0.7
3AP3-AMINOPYRIDINEA1AEF0.71
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.75
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.73
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.75
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.75
SROSEROTONINA,B3BRN0.75
SROSEROTONINA2QEH0.75
2862-ethenyl-1-methylpyridiniumX2RC20.72
PDA2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID
A2Q3D0.7
PDA2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID
A,B1ELU0.7
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEA,B3DAA0.7
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEA2ZPU0.7
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEA,B1L6G0.7
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEB,H,L2BMK0.7
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID
A,B2VD90.73
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID
A,B1BD00.73
PYXS-[S-THIOPYRIDOXAMINYL]CYSTEINEA,B1A2D0.72
ASEN-ACETYL SEROTONINA1NAS0.73