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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01245688

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D,E,F1U1C0.75
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D3EUF0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL
A1C1B0.79
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.72
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.74
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.81
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
TNK6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACILA1JLA0.71
TNK6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACILA1RT20.71
TNK6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACILA1S1V0.71
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
CPUA,B1CR60.72
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.72
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
1821-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D,E,F1U1E0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
271N-methyl-1-phenylmethanamineX2RBT0.72
V152-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-
4(3H)-ONE
A2V000.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
TTXTENTOXINB1KMH0.7