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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01223098

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NID4-NITRO-INDEN-1-ONEA,B1DOH0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.76
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.74
AAHH1KEL0.74
AAHB,H1FL60.74
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.8
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.7
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.73
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75
TNSA,B,L2G2R0.74