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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02445035

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
26DPYRIDINE-2,6-DIAMINEA2ANZ0.84
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.71
4AP4-AMINOPYRIDINEA1AEG0.76
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.7
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.82
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.77
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.77
APY2-AMINOMETHYL-PYRIDINEI1IVP0.77
NTNISONICOTINAMIDINEA7ADH0.82
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.87
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.87
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.72
RW14-phenylpyrimidineA,B,C3B9S0.7
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
D4GA,B,C,D2FDY0.72
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
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
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.72
PYS2-PYRIDINETHIOLA,B1CTE0.74
PYS2-PYRIDINETHIOLA2IPP0.74
3AP3-AMINOPYRIDINEA1AEF0.76
DA1PYRIDINE-2,5-DIAMINEA2AQD0.88
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.88
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.7
9DA9-DEAZAADENINEA1L1R0.71
9DA9-DEAZAADENINEA1L1Q0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.74
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7
2AP2-AMINOPYRIDINEA1AEO0.88
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.71
1SQISOQUINOLIN-1-AMINEA2OHK0.78