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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02410683

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
D4GA,B,C,D2FDY0.7
2AP2-AMINOPYRIDINEA1AEO0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
4AP4-AMINOPYRIDINEA1AEG0.9
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.74
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
2862-ethenyl-1-methylpyridiniumX2RC20.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.82
APY2-AMINOMETHYL-PYRIDINEI1IVP0.82
DA1PYRIDINE-2,5-DIAMINEA2AQD0.79
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.7
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
H1UVS0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
9DA9-DEAZAADENINEA1L1R0.76
9DA9-DEAZAADENINEA1L1Q0.76
2755-amino-1,2-dimethylpyridiniumX2RBW0.82
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7
3AP3-AMINOPYRIDINEA1AEF0.9
NTNISONICOTINAMIDINEA7ADH0.73