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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02355156

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.79
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.75
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.81
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.82
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.77
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.8
4NB4-NITROBENZOIC ACIDA,B3CHT0.75
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.81
IBRA9EST0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.86
TNSA,B,L2G2R0.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.72
AAHH1KEL0.72
AAHB,H1FL60.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71