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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02854542

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.76
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.7
NPOP-NITROPHENOLA,B1Z440.73
NPOP-NITROPHENOLX2ZYW0.73
NPOP-NITROPHENOLH,L1YEK0.73
NPOP-NITROPHENOLA,C,E,G43CA0.73
NPOP-NITROPHENOLA1LS60.73
NPOP-NITROPHENOLX2ZVP0.73
NPOP-NITROPHENOLA,B2I100.73
NPOP-NITROPHENOLA1VAH0.73
NPOP-NITROPHENOLA,B3ETT0.73
NPOP-NITROPHENOLA,B2D200.73
NPOP-NITROPHENOLX2ZYV0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
SOAISATOIC ANHYDRIDEA1BIO0.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.81
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.81
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.81
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.84
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.84
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.84
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.7
PRY2-PROPYL-ANILINEA1OWY0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.83
M09(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRM0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.81
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.8
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.73
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.81
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.88
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.75
TNL2,4,6-TRINITROTOLUENEA1GVR0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.74
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.73
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
4NB4-NITROBENZOIC ACIDA,B3CHT0.72