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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008326

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.83
THATACRINEA,B2AOW0.76
THATACRINEA,B,C,D,E,F1MX10.76
THATACRINEA,B2AOX0.76
THATACRINEA1ACJ0.76
PRLPROFLAVINH,I1BCU0.74
PRLPROFLAVINA,B,D,E1QVT0.74
PRLPROFLAVINA,B2KD40.74
PRLPROFLAVINA1QVU0.74
2MI2-METHYL-1H-INDOLEA2PIO0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
3AP3-AMINOPYRIDINEA1AEF0.74
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
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
2AQQUINOLIN-2-AMINEA2OHL0.73
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
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.83
APY2-AMINOMETHYL-PYRIDINEI1IVP0.83
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.78
ISQISOQUINOLINEA1GDK0.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.77
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79
4AP4-AMINOPYRIDINEA1AEG0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72
2862-ethenyl-1-methylpyridiniumX2RC20.86
NTNISONICOTINAMIDINEA7ADH0.73