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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02426338

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
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
NIT4-NITROANILINEC,D1RMH0.76
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.76
NIT4-NITROANILINEB1VBS0.76
NIT4-NITROANILINEC1V9T0.76
NIT4-NITROANILINEC,D1VBT0.76
NIT4-NITROANILINEB1LOP0.76
NIT4-NITROANILINEC,D1ZKF0.76
NIT4-NITROANILINEB1PIP0.76
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
1MRN-METHYLANILINEX2OTZ0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
PRY2-PROPYL-ANILINEA1OWY0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
BSU1,3-DIPHENYLUREAA3E850.73
BSU1,3-DIPHENYLUREAA2ZJF0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.7
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
1AN2-FLUOROANILINEA1LGW0.87
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
5AN3,5-DIFLUOROANILINEA1LGX0.87
ANLANILINEA2OV40.83
ANLANILINEA1AEE0.83
ANLANILINEA1PPA0.83
ANLANILINEA1HJ90.83
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.8
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
NYLN-ALLYL-ANILINEA1OVK0.72
34A3,4-DIMETHYLANILINEA1L4K0.71
264(phenylamino)acetonitrileA2RBN0.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71