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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02242264

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DA1PYRIDINE-2,5-DIAMINEA2AQD0.86
ISQISOQUINOLINEA1GDK0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.74
D4GA,B,C,D2FDY0.74
NTNISONICOTINAMIDINEA7ADH0.81
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.77
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.77
APY2-AMINOMETHYL-PYRIDINEI1IVP0.77
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.81
3AP3-AMINOPYRIDINEA1AEF0.74
RW14-phenylpyrimidineA,B,C3B9S0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.86
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
PYF3-PYRIDINYLCARBINOLA,B1R160.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
26DPYRIDINE-2,6-DIAMINEA2ANZ0.82
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.85
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.85
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.75
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.74
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.73
2862-ethenyl-1-methylpyridiniumX2RC20.77
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.76
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
1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.7
4AP4-AMINOPYRIDINEA1AEG0.74
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.73
PYS2-PYRIDINETHIOLA,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79
2AP2-AMINOPYRIDINEA1AEO0.87
1SQISOQUINOLIN-1-AMINEA2OHK0.78