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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.79
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.81
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
34A3,4-DIMETHYLANILINEA1L4K0.7
3NT3-NITROTOLUENEA,B2BMR0.86
3NT3-NITROTOLUENEA,B2HMO0.86
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.71
NINDINITROPHENYLENEA1RSM0.76
NINDINITROPHENYLENEA1GVY0.76
NINDINITROPHENYLENEA1GW10.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
AAHH1KEL0.73
AAHB,H1FL60.73
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
NIT4-NITROANILINEC,D1RMH0.74
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.74
NIT4-NITROANILINEB1VBS0.74
NIT4-NITROANILINEC1V9T0.74
NIT4-NITROANILINEC,D1VBT0.74
NIT4-NITROANILINEB1LOP0.74
NIT4-NITROANILINEC,D1ZKF0.74
NIT4-NITROANILINEB1PIP0.74
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75