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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00820806

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AAHH1KEL0.71
AAHB,H1FL60.71
34A3,4-DIMETHYLANILINEA1L4K0.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.71
271N-methyl-1-phenylmethanamineX2RBT0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
A8BA1ODC0.7
1MRN-METHYLANILINEX2OTZ0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.72
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.76
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
CRIA,B1VKG0.71
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.81
264(phenylamino)acetonitrileA2RBN0.72