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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02322403

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
2AQQUINOLIN-2-AMINEA2OHL0.72
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.82
DEQDEQUALINIUMA,B,D,E1JT60.71
DEQDEQUALINIUMA,B,D,E3BR20.71
DEQDEQUALINIUMA1OYD0.71
DEQDEQUALINIUMA,B,D,E3BT90.71
DEQDEQUALINIUMA,B,D,E3BTJ0.71
DEQDEQUALINIUMA,B,D,E3BR10.71
2862-ethenyl-1-methylpyridiniumX2RC20.83
PRLPROFLAVINH,I1BCU0.73
PRLPROFLAVINA,B,D,E1QVT0.73
PRLPROFLAVINA,B2KD40.73
PRLPROFLAVINA1QVU0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.86
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.7
NTNISONICOTINAMIDINEA7ADH0.76
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.91
APY2-AMINOMETHYL-PYRIDINEI1IVP0.91
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.81
2AP2-AMINOPYRIDINEA1AEO0.72
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.72
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
2MI2-METHYL-1H-INDOLEA2PIO0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
4AP4-AMINOPYRIDINEA1AEG0.77
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.77
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
1UW60.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.75
DA1PYRIDINE-2,5-DIAMINEA2AQD0.76
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.7
3AP3-AMINOPYRIDINEA1AEF0.81
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.77
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.77
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.71
THATACRINEA,B2AOW0.75
THATACRINEA,B,C,D,E,F1MX10.75
THATACRINEA,B2AOX0.75
THATACRINEA1ACJ0.75
D4GA,B,C,D2FDY0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.77
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.73
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77