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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02871502

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
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
NIT4-NITROANILINEC,D1RMH0.81
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.81
NIT4-NITROANILINEB1VBS0.81
NIT4-NITROANILINEC1V9T0.81
NIT4-NITROANILINEC,D1VBT0.81
NIT4-NITROANILINEB1LOP0.81
NIT4-NITROANILINEC,D1ZKF0.81
NIT4-NITROANILINEB1PIP0.81
34A3,4-DIMETHYLANILINEA1L4K0.73
PRY2-PROPYL-ANILINEA1OWY0.75
NBZNITROBENZENEA,B2BMQ0.79
NBZNITROBENZENEA,B3BGU0.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.93
PNZP-NITRO-BENZYLAMINEA,B2C700.93
NINDINITROPHENYLENEA1RSM0.85
NINDINITROPHENYLENEA1GVY0.85
NINDINITROPHENYLENEA1GW10.85
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.92
PPNPARA-NITROPHENYLALANINEI1YTJ0.74