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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00923050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3D0.78
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3E0.78
HABA,B1SRE0.73
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.72
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
A,B,C2Q110.71
NABA,B1SRJ0.7
CTZC2-HYDROXY-COELENTERAZINEA2HPS0.72
CTZC2-HYDROXY-COELENTERAZINEA1EL40.72
ANTANTHRAMYCINA274D0.7
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.75
0612-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-
5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-
4-ONE
A,B1A8T0.78
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.72
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A1QNF0.78
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A,B,C,D,I,K1TEZ0.78
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A2J070.78
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one
A,B2FVC0.71
MTBA,B1SRF0.71
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.73
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.73
NN21-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-
2H-1,2,4-BENZOTHIADIAZIN-3-YL)-
6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-
ONE
A,B2GIQ0.7
DMBA,B1SRI0.71
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.72
CZHC2-HYDROPEROXY-COELENTERAZINEA1QV10.72
CZHC2-HYDROPEROXY-COELENTERAZINEA1JF20.72
CZHC2-HYDROPEROXY-COELENTERAZINEA1SL90.72
CZHC2-HYDROPEROXY-COELENTERAZINEA1JF00.72
CZHC2-HYDROPEROXY-COELENTERAZINEA1QV00.72
CZHC2-HYDROPEROXY-COELENTERAZINEA,B1EJ30.72
MHBA,B1SRG0.72
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.72
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.71
CH7[(4Z)-4-(4-HYDROXYBENZYLIDENE)-
5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-
2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-
YL]ACETIC ACID
A,B1XAE0.71
CH7[(4Z)-4-(4-HYDROXYBENZYLIDENE)-
5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-
2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-
YL]ACETIC ACID
A,B,C,D2OGR0.71
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.7
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
A2Q150.71
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.82
CZP(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-
2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-
7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
3(2H)-ONE
A,B1UHH0.7