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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02414277

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
SANSULFANILAMIDEA1AJ00.7
PHZ1-PHENYLHYDRAZINEA2E2T0.77
PHZ1-PHENYLHYDRAZINED,H2AGL0.77
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
URSN-PHENYLTHIOUREAA,B1BUG0.7
1AN2-FLUOROANILINEA1LGW0.86
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
NBENITROSOBENZENEA1LH70.79
NBENITROSOBENZENEA2LH70.79
NBENITROSOBENZENEA2NSS0.79
1MRN-METHYLANILINEX2OTZ0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
34A3,4-DIMETHYLANILINEA1L4K0.72
5AN3,5-DIFLUOROANILINEA1LGX0.86
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
PRY2-PROPYL-ANILINEA1OWY0.74
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
NYLN-ALLYL-ANILINEA1OVK0.73
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
ANLANILINEA2OV40.82
ANLANILINEA1AEE0.82
ANLANILINEA1PPA0.82
ANLANILINEA1HJ90.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
264(phenylamino)acetonitrileA2RBN0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8