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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00589112

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A1QNF0.74
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A,B,C,D,I,K1TEZ0.74
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A2J070.74
DMBA,B1SRI0.72
NABA,B1SRJ0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.78
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one
A3G3N0.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.81
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.73
HABA,B1SRE0.74
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.74
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.72
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.72
MTBA,B1SRF0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.75
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
A2Q150.72
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3D0.74
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3E0.74
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.73
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.75
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.72
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.72
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one
A,B2FVC0.71
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID
A,B,C,D,E,F,
G,H
2OZR0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.7
MHBA,B1SRG0.73
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.74
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER
A1ZSK0.76
0612-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-
5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-
4-ONE
A,B1A8T0.81
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
B1GJD0.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.7
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.82
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71