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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01230127

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.89
D4GA,B,C,D2FDY0.73
26DPYRIDINE-2,6-DIAMINEA2ANZ0.84
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.71
4AP4-AMINOPYRIDINEA1AEG0.76
1SQISOQUINOLIN-1-AMINEA2OHK0.8
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.7
2AQQUINOLIN-2-AMINEA2OHL0.7
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
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.72
NTNISONICOTINAMIDINEA7ADH0.82
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.88
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.88
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid
A,B3CJ00.71
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
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
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
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
2862-ethenyl-1-methylpyridiniumX2RC20.76
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.75
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
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
PYS2-PYRIDINETHIOLA,B1CTE0.74
PYS2-PYRIDINETHIOLA2IPP0.74
3AP3-AMINOPYRIDINEA1AEF0.76
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.79
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
DA1PYRIDINE-2,5-DIAMINEA2AQD0.88
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.72
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.72
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.73
9DA9-DEAZAADENINEA1L1R0.71
9DA9-DEAZAADENINEA1L1Q0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.79
APY2-AMINOMETHYL-PYRIDINEI1IVP0.79
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.74
RW14-phenylpyrimidineA,B,C3B9S0.71
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