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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361673

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.7
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.82
NCR2-NITRO-P-CRESOLA,B1AHV0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
34A3,4-DIMETHYLANILINEA1L4K0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.79
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.78
PRY2-PROPYL-ANILINEA1OWY0.71
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.78
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.72
3NT3-NITROTOLUENEA,B2BMR0.8
3NT3-NITROTOLUENEA,B2HMO0.8
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.78
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.78
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
AAHH1KEL0.74
AAHB,H1FL60.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
TNSA,B,L2G2R0.74