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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212768

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.73
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.75
2AP2-AMINOPYRIDINEA1AEO0.85
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.77
D4GA,B,C,D2FDY0.7
DA1PYRIDINE-2,5-DIAMINEA2AQD0.84
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.88
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.77
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.77
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.77
3AP3-AMINOPYRIDINEA1AEF0.73
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B2F170.74
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B3D2V0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
2862-ethenyl-1-methylpyridiniumX2RC20.74
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.72
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.7
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.74
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.72
NTNISONICOTINAMIDINEA7ADH0.78
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.86
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.86
1SQISOQUINOLIN-1-AMINEA2OHK0.77
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.87
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.72
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.83
26DPYRIDINE-2,6-DIAMINEA2ANZ0.81
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
4AP4-AMINOPYRIDINEA1AEG0.73