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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00079639

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.82
OLOOLOMOUCINEA4ERK0.7
OLOOLOMOUCINEC1W0X0.7
12C4-[(3S)-1-AZABICYCLO[2.2.2]OCT-
3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-
YL)-6-CHLOROQUINOLIN-2(1H)-ONE
A2GDO0.72
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
A,B,C,D2AJ80.88
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.74
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B,C,D,F,G,H,
I,J,K,L
1S640.77
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B1S630.77
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.75
FR71-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-
2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-
CARBOXAMIDE
A1V790.73
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.71
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.7
XIH2-({8-[(3R)-3-AMINOPIPERIDIN-1-
YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-
TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
A2GBI0.84
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.71
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione
A,B2RGU0.76
BPG9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINEA,B1QHI0.72
LUMLUMICHROMEA2CC60.7
LUMLUMICHROMEA,B1S4M0.7
LUMLUMICHROMEA2CC70.7
LUMLUMICHROMEA1HE50.7
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1X810.72
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1SA40.72
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.73
UN8N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YL]METHYL}PHENYL)-1-METHYL-
1H-IMIDAZOLE-4-SULFONAMIDE
A,B2GMV0.71
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.79
LIR2-[(3S)-3-AMINOPIPERIDIN-1-YL]-
1-(2-CYANOBENZYL)-5-METHYL-4,6-
DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-
D]IMIDAZOL-1-IUM
A2I3Z0.75
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.71
PM1[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-
IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-
METHANONE
A1PYE0.73
VGF1-(3,4-DICHLOROBENZYL)-7-PHENYL-
1H-BENZIMIDAZOL-2-AMINE
A,B,C,D2WD80.7