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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02302892

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
1MRN-METHYLANILINEX2OTZ0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.77
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
264(phenylamino)acetonitrileA2RBN0.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
271N-methyl-1-phenylmethanamineX2RBT0.73
AAHH1KEL0.7
AAHB,H1FL60.7
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
34A3,4-DIMETHYLANILINEA1L4K0.76