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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02704925

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
MX4{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACIDI2C2M0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
Y15N-[(1S)-2-{[(1R)-2-(benzyloxy)-
1-cyano-1-methylethyl]amino}-1-
(cyclohexylmethyl)-2-oxoethyl]morpholine-
4-carboxamide
A,B2R9O0.7
BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-
(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-
3-METHYL-BUTYL]AMIDE
A1MS60.71
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.7
HC7(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-
4-yl]-2-hydroxy-4,4-dimethylmorpholin-
4-ium
A3FEG0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71