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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01328143

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
34A3,4-DIMETHYLANILINEA1L4K0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.78
AAHH1KEL0.71
AAHB,H1FL60.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.72
NYLN-ALLYL-ANILINEA1OVK0.76
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.79
PRY2-PROPYL-ANILINEA1OWY0.74
264(phenylamino)acetonitrileA2RBN0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.87
MGRMALACHITE GREENA,B3BQZ0.74
MGRMALACHITE GREENA1Q8N0.74
MGRMALACHITE GREENA,B3BR00.74
MGRMALACHITE GREENA,D,E3BTL0.74
MGRMALACHITE GREENA,B,D,E3BTC0.74
MGRMALACHITE GREENA,B,D,E1JUP0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.83
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
271N-methyl-1-phenylmethanamineX2RBT0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.76
1MRN-METHYLANILINEX2OTZ0.76
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77