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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212463

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D4GA,B,C,D2FDY0.73
RW14-phenylpyrimidineA,B,C3B9S0.74
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.73
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
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
2AP2-AMINOPYRIDINEA1AEO0.85
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
DA1PYRIDINE-2,5-DIAMINEA2AQD0.84
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.86
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
3AP3-AMINOPYRIDINEA1AEF0.73
NTNISONICOTINAMIDINEA7ADH0.8
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.85
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.85
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.7
ISQISOQUINOLINEA1GDK0.7
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.77
2862-ethenyl-1-methylpyridiniumX2RC20.77
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.73
9DA9-DEAZAADENINEA1L1R0.71
9DA9-DEAZAADENINEA1L1Q0.71
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.72
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
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
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.75
26DPYRIDINE-2,6-DIAMINEA2ANZ0.81
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79
4AP4-AMINOPYRIDINEA1AEG0.73