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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014314

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
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
3NT3-NITROTOLUENEA,B2BMR0.89
3NT3-NITROTOLUENEA,B2HMO0.89
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
34A3,4-DIMETHYLANILINEA1L4K0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
NBZNITROBENZENEA,B2BMQ0.81
NBZNITROBENZENEA,B3BGU0.81
PRY2-PROPYL-ANILINEA1OWY0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
NINDINITROPHENYLENEA1RSM0.76
NINDINITROPHENYLENEA1GVY0.76
NINDINITROPHENYLENEA1GW10.76
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
HFTHYDROXYFLUTAMIDEA2AX60.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.79
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.73