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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007850

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.78
PHZ1-PHENYLHYDRAZINED,H2AGL0.78
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.77
1MRN-METHYLANILINEX2OTZ0.75
34A3,4-DIMETHYLANILINEA1L4K0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
5AN3,5-DIFLUOROANILINEA1LGX0.96
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
264(phenylamino)acetonitrileA2RBN0.71
PRY2-PROPYL-ANILINEA1OWY0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
1AN2-FLUOROANILINEA1LGW0.93
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.84
NBZNITROBENZENEA,B2BMQ0.76
NBZNITROBENZENEA,B3BGU0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
NYLN-ALLYL-ANILINEA1OVK0.73
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
SANSULFANILAMIDEA1AJ00.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.84
URSN-PHENYLTHIOUREAA,B1BUG0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.82
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.82
ANLANILINEA2OV40.88
ANLANILINEA1AEE0.88
ANLANILINEA1PPA0.88
ANLANILINEA1HJ90.88
PL01-phenylguanidineA2O8W0.7
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7