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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03838651

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
34A3,4-DIMETHYLANILINEA1L4K0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.82
SANSULFANILAMIDEA1AJ00.72
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
1AN2-FLUOROANILINEA1LGW0.78
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
PHZ1-PHENYLHYDRAZINEA2E2T0.93
PHZ1-PHENYLHYDRAZINED,H2AGL0.93
NIT4-NITROANILINEC,D1RMH0.8
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.8
NIT4-NITROANILINEB1VBS0.8
NIT4-NITROANILINEC1V9T0.8
NIT4-NITROANILINEC,D1VBT0.8
NIT4-NITROANILINEB1LOP0.8
NIT4-NITROANILINEC,D1ZKF0.8
NIT4-NITROANILINEB1PIP0.8
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
PRY2-PROPYL-ANILINEA1OWY0.76
NYLN-ALLYL-ANILINEA1OVK0.73
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
URSN-PHENYLTHIOUREAA,B1BUG0.71
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.89
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
5AN3,5-DIFLUOROANILINEA1LGX0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
264(phenylamino)acetonitrileA2RBN0.72
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71