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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03647731

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FOO(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}-2-IMINOBUT-3-ENOIC ACID		B2J9Y0.74
HCP1-[((1E)-{3-HYDROXY-2-METHYL-5-
[(PHOSPHONOOXY)METHYL]PYRIDIN-4-
YL}METHYLENE)AMINO]CYCLOPENTYLPHOSPHONIC ACID		A1M0N0.73
PFM1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-
4-PYRIDOXAL-5-OXO-6-HEPTENATE		A,B,C2OAT0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.74
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.74
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.77
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol		A,B3F660.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.81
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.81
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.81
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.7
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.73
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.73
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID		A1M0P0.78
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.7
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE		A,B,C1O6H0.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.81
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.81
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE		A2FVJ0.7
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.85
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B3FHX0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2DDW0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9W0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9X0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B1TD20.72
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
LLF(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A2G6W0.74
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A1RFT0.77
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A,B2Z9V0.77
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.7
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
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
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.87
QNDQUINALDIC ACIDA,B1IDA0.71
MPM(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID		A1M0O0.74
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.7
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.72
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.72
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE		E2F7E0.71
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1MDO0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2YRI0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F2EJ00.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3FZ60.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2R2N0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1ZC90.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2ZC00.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMR0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB30.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1KTA0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZU0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1UU10.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2Q7W0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2GSA0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1YIY0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Y0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2HOZ0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1FG70.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3GSB0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QA30.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3BWN0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZK0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2F8J0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2AAT0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2CJG0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QBT0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMS0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2E7U0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1A0G0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2C810.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C2ZSM0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIB0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Z0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1BKG0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2FNU0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMQ0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIC0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2EPJ0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB20.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZS0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1W7N0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2ZSL0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA3BS80.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1UU20.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1XQL0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C3CQ50.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B9AAT0.75
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIA0.75
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.71
MMM(S,E)-3-HYDROXY-2-((3-HYDROXY-2-
METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-
4-YL)METHYLENEAMINO)-2-METHYLPROPANOIC ACID		A,B2YRI0.7
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B2VD90.72
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B1BD00.72
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
3ID3H-INDOLE-5,6-DIOLA1F9B0.72
3ID3H-INDOLE-5,6-DIOLA1OYO0.72
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.72
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
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B3GZC0.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GJ40.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GM90.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEG0.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEI0.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FZ80.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F1PMO0.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FSL0.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2CFB0.76
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D3GZD0.76
SROSEROTONINA,B3BRN0.77
SROSEROTONINA2QEH0.77
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.72
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.76
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.73
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.71
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium		A,B2Z780.7
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.72
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.79
ASEN-ACETYL SEROTONINA1NAS0.75
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.7
P0P[4-(DIHYDROXYMETHYL)-5-HYDROXY-
6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2GMS0.74
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1HO40.75
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D,E,F,
G,H		3F4N0.75
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1SZR0.75
PYXS-[S-THIOPYRIDOXAMINYL]CYSTEINEA,B1A2D0.72
0AF7-hydroxy-L-tryptophanL1MAE0.77
0AF7-hydroxy-L-tryptophanL1MAF0.77
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL		A,B2QAB0.71
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
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE		E2F7X0.7