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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03005774

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.71
3AP3-AMINOPYRIDINEA1AEF0.72
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.71
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B,C,D2C110.71
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B1SPU0.71
4AP4-AMINOPYRIDINEA1AEG0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.84
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.83
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.83
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.77
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
D4GA,B,C,D2FDY0.7
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.7
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.7
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.7
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.7
2AP2-AMINOPYRIDINEA1AEO0.83
2862-ethenyl-1-methylpyridiniumX2RC20.74
NTNISONICOTINAMIDINEA7ADH0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.73
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.73
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
DA1PYRIDINE-2,5-DIAMINEA2AQD0.82
26DPYRIDINE-2,6-DIAMINEA2ANZ0.79
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.77
1SQISOQUINOLIN-1-AMINEA2OHK0.78