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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02249356

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
34A3,4-DIMETHYLANILINEA1L4K0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.71
3NT3-NITROTOLUENEA,B2BMR0.89
3NT3-NITROTOLUENEA,B2HMO0.89
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
3AB3-aminobenzamideA,B,C,D3GOY0.74
PRY2-PROPYL-ANILINEA1OWY0.75
NBZNITROBENZENEA,B2BMQ0.79
NBZNITROBENZENEA,B3BGU0.79
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
HFTHYDROXYFLUTAMIDEA2AX60.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.82
PNZP-NITRO-BENZYLAMINEA,B2C700.82
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.82