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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02386402

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AN3,5-DIFLUOROANILINEA1LGX0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
PRY2-PROPYL-ANILINEA1OWY0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.75
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
HFTHYDROXYFLUTAMIDEA2AX60.73
3NT3-NITROTOLUENEA,B2BMR0.83
3NT3-NITROTOLUENEA,B2HMO0.83
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
1AN2-FLUOROANILINEA1LGW0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
34A3,4-DIMETHYLANILINEA1L4K0.71