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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00822727

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.79
TNSA,B,L2G2R0.79
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.7
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.72
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE
A1FKH0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.77
AAHH1KEL0.78
AAHB,H1FL60.78