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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023046

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,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
NBZNITROBENZENEA,B2BMQ0.8
NBZNITROBENZENEA,B3BGU0.8
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
34A3,4-DIMETHYLANILINEA1L4K0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
NINDINITROPHENYLENEA1RSM0.84
NINDINITROPHENYLENEA1GVY0.84
NINDINITROPHENYLENEA1GW10.84
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
PRY2-PROPYL-ANILINEA1OWY0.76
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.91
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.82
PNZP-NITRO-BENZYLAMINEA,B2C700.82
3NT3-NITROTOLUENEA,B2BMR0.88
3NT3-NITROTOLUENEA,B2HMO0.88
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8