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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03000183

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,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
NINDINITROPHENYLENEA1RSM0.77
NINDINITROPHENYLENEA1GVY0.77
NINDINITROPHENYLENEA1GW10.77
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
34A3,4-DIMETHYLANILINEA1L4K0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
PRY2-PROPYL-ANILINEA1OWY0.75
NBZNITROBENZENEA,B2BMQ0.79
NBZNITROBENZENEA,B3BGU0.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.84
PNZP-NITRO-BENZYLAMINEA,B2C700.84
TNL2,4,6-TRINITROTOLUENEA1GVR0.86
NIT4-NITROANILINEC,D1RMH0.77
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.77
NIT4-NITROANILINEB1VBS0.77
NIT4-NITROANILINEC1V9T0.77
NIT4-NITROANILINEC,D1VBT0.77
NIT4-NITROANILINEB1LOP0.77
NIT4-NITROANILINEC,D1ZKF0.77
NIT4-NITROANILINEB1PIP0.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.72
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
3NT3-NITROTOLUENEA,B2BMR0.87
3NT3-NITROTOLUENEA,B2HMO0.87
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74