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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00478313

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.71
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.71
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.77
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE
A1RT70.72
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
A3B650.71
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.71
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.75
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.74
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.77
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
SOAISATOIC ANHYDRIDEA1BIO0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.79
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE
A1TKT0.87
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.77
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.82
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.74
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE
A1TL30.87
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.88
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.78
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.77
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.74
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one
A,B3GAM0.75