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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02626596

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,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
3AB3-aminobenzamideA,B,C,D3GOY0.72
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
HFTHYDROXYFLUTAMIDEA2AX60.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
NBZNITROBENZENEA,B2BMQ0.76
NBZNITROBENZENEA,B3BGU0.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
PRY2-PROPYL-ANILINEA1OWY0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
3NT3-NITROTOLUENEA,B2BMR0.83
3NT3-NITROTOLUENEA,B2HMO0.83
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.83
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76