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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.77
1MRN-METHYLANILINEX2OTZ0.75
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
264(phenylamino)acetonitrileA2RBN0.71
PRY2-PROPYL-ANILINEA1OWY0.73
5AN3,5-DIFLUOROANILINEA1LGX0.86
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
URSN-PHENYLTHIOUREAA,B1BUG0.75
34A3,4-DIMETHYLANILINEA1L4K0.7
ANLANILINEA2OV40.85
ANLANILINEA1AEE0.85
ANLANILINEA1PPA0.85
ANLANILINEA1HJ90.85
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.76
NBENITROSOBENZENEA1LH70.83
NBENITROSOBENZENEA2LH70.83
NBENITROSOBENZENEA2NSS0.83
1AN2-FLUOROANILINEA1LGW0.89
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
NYLN-ALLYL-ANILINEA1OVK0.73
SANSULFANILAMIDEA1AJ00.71
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
PL01-phenylguanidineA2O8W0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76