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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02473881

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.73
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.73
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.73
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.73
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.73
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.73
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.71
NNRNicotinamide ribosideA2QT00.83
NNRNicotinamide ribosideA2QT10.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.8
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.8
4PC3-(2'-DEOXY-5-O-PHOSPHONO-BETA-
D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-
3,7-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-
2-ONE
A,C,D,F2IH40.71
4PC3-(2'-DEOXY-5-O-PHOSPHONO-BETA-
D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-
3,7-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-
2-ONE
A,B,C2NP70.71
QUO2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-
CYCLOPENTYLAMINO)-GUANOSINE-5'-
MONOPHOSPHATE
A,B1C0A0.71
QUO2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-
CYCLOPENTYLAMINO)-GUANOSINE-5'-
MONOPHOSPHATE
C,D1EFW0.71
XGA6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
3,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE
A,B2ICZ0.71
IRP(1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-
DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE
A,B,C,D1CJB0.7
NGDA,B2O3U0.74
9DI9-DEAZAINOSINEA1A9P0.73
PQ1PHOSPHORIC ACID MONO-[5-(2-AMINO-
5-AMINOMETHYL-4-OXO-3,5-DIHYDRO-
4H-PYRIDO[2,3-D]PYRIMIDIN-8-YL)-
3,4-DIHYDROXY-TETRAHYDRO-FURAN-
2-YLMETHYL] ESTER
A,B,C,D,E1Q2S0.72
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEF0.79
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,C1YQM0.79
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEG0.79
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEB1U1M0.79
IMG1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-
DEAZAGUANIN-9-YL)-D-RIBITOL
A,B1DQP0.71
IMG1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-
DEAZAGUANIN-9-YL)-D-RIBITOL
A1B8N0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.71
NCX1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE-3-CARBOXAMIDE
A2O4Y0.76
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
C2OXM0.72
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
B,C2OYT0.72