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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02419496

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.78
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.74
NTNISONICOTINAMIDINEA7ADH0.79
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.85
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.75
3AP3-AMINOPYRIDINEA1AEF0.72
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.8
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
2AP2-AMINOPYRIDINEA1AEO0.84
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.8
RW14-phenylpyrimidineA,B,C3B9S0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.73
MILMILRINONEA,B1TLM0.7
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.7
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.71
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.71
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.72
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.76
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.7
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.71
ISQISOQUINOLINEA1GDK0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
4AP4-AMINOPYRIDINEA1AEG0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.75
PYS2-PYRIDINETHIOLA,B1CTE0.74
PYS2-PYRIDINETHIOLA2IPP0.74
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.84
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.84
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
2862-ethenyl-1-methylpyridiniumX2RC20.77
DA1PYRIDINE-2,5-DIAMINEA2AQD0.83
D4GA,B,C,D2FDY0.76
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.79
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.75
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.7
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.7
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.7
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.75