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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03244897

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MILMILRINONEA,B1TLM0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.79
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.7
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.74
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
1UW60.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.8
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.79
D4GA,B,C,D2FDY0.78
2AP2-AMINOPYRIDINEA1AEO0.72
PYS2-PYRIDINETHIOLA,B1CTE0.76
PYS2-PYRIDINETHIOLA2IPP0.76
2862-ethenyl-1-methylpyridiniumX2RC20.88
DA1PYRIDINE-2,5-DIAMINEA2AQD0.75
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
3AP3-AMINOPYRIDINEA1AEF0.79
NTNISONICOTINAMIDINEA7ADH0.77
ISQISOQUINOLINEA1GDK0.72
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.78
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.71
3MP3-METHYLPYRIDINEA1EUB0.81
3MP3-METHYLPYRIDINEA1BM60.81
4AP4-AMINOPYRIDINEA1AEG0.84
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.76
RW14-phenylpyrimidineA,B,C3B9S0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.81
APY2-AMINOMETHYL-PYRIDINEI1IVP0.81
2755-amino-1,2-dimethylpyridiniumX2RBW0.83
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72