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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004605

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.71
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
3AP3-AMINOPYRIDINEA1AEF0.86
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.75
9DA9-DEAZAADENINEA1L1R0.7
9DA9-DEAZAADENINEA1L1Q0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.74
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.74
DA1PYRIDINE-2,5-DIAMINEA2AQD0.75
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
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.8
APY2-AMINOMETHYL-PYRIDINEI1IVP0.8
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.85
2862-ethenyl-1-methylpyridiniumX2RC20.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.72
2AP2-AMINOPYRIDINEA1AEO0.79
4AP4-AMINOPYRIDINEA1AEG0.92
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.77
D4GA,B,C,D2FDY0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
EPJEPIBATIDINEA,B,C,D,E2BYQ0.77
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.81
NTNISONICOTINAMIDINEA7ADH0.75
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72