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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003626

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.72
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.81
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.81
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.76
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.72
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.75
1SQISOQUINOLIN-1-AMINEA2OHK0.74
NTNISONICOTINAMIDINEA7ADH0.77
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.78
2AP2-AMINOPYRIDINEA1AEO0.82
3AP3-AMINOPYRIDINEA1AEF0.71
4AP4-AMINOPYRIDINEA1AEG0.7
DA1PYRIDINE-2,5-DIAMINEA2AQD0.81
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.73
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.81
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.83