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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021593

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
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.76
2862-ethenyl-1-methylpyridiniumX2RC20.83
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.7
4AP4-AMINOPYRIDINEA1AEG0.82
RW14-phenylpyrimidineA,B,C3B9S0.7
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.81
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.81
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.82
APY2-AMINOMETHYL-PYRIDINEI1IVP0.82
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
ISQISOQUINOLINEA1GDK0.7
PYS2-PYRIDINETHIOLA,B1CTE0.74
PYS2-PYRIDINETHIOLA2IPP0.74
3AP3-AMINOPYRIDINEA1AEF0.76
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
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.77
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
NTNISONICOTINAMIDINEA7ADH0.74
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
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72