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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00768361

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
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
AAHH1KEL0.76
AAHB,H1FL60.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.8
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.75
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
PPNPARA-NITROPHENYLALANINEI1YTJ0.78
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.84
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.78
TNSA,B,L2G2R0.75
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.79
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73