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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03781338

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.75
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B2F170.72
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B3D2V0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.88
DA1PYRIDINE-2,5-DIAMINEA2AQD0.75
2AQQUINOLIN-2-AMINEA2OHL0.73
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.76
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.76
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.78
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.72
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.78
26DPYRIDINE-2,6-DIAMINEA2ANZ0.8
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
2AP2-AMINOPYRIDINEA1AEO0.76
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.83