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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02164030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
26DPYRIDINE-2,6-DIAMINEA2ANZ0.74
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1RTH0.72
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1RT30.72
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1LW20.72
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.72
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.74
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A1PXO0.71
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A,C2C5P0.71
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.79
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.74
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.73
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.73
1SQISOQUINOLIN-1-AMINEA2OHK0.71
3AP3-AMINOPYRIDINEA1AEF0.79
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.7
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.71
2AP2-AMINOPYRIDINEA1AEO0.8
DA1PYRIDINE-2,5-DIAMINEA2AQD0.87
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.78
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.78
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.8
9DA9-DEAZAADENINEA1L1R0.76
9DA9-DEAZAADENINEA1L1Q0.76
BZIBENZIMIDAZOLEA1RYC0.7
BZIBENZIMIDAZOLEA1L5F0.7
BZIBENZIMIDAZOLEA1KXM0.7
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.71
2862-ethenyl-1-methylpyridiniumX2RC20.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.79
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
4AP4-AMINOPYRIDINEA1AEG0.73
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.71
NTNISONICOTINAMIDINEA7ADH0.73