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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02658051

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
3AB3-aminobenzamideA,B,C,D3GOY0.72
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.81
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.74
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.8
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.79
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.7
AAHH1KEL0.75
AAHB,H1FL60.75
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
3NT3-NITROTOLUENEA,B2BMR0.81
3NT3-NITROTOLUENEA,B2HMO0.81
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73