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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01128918

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.7
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.76
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.76
BFU1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-
FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-
CYCLOPROPYL]-UREA		A1EET0.71
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B3FHX0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2DDW0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9W0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9X0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B1TD20.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.74
ASEN-ACETYL SEROTONINA1NAS0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.73
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.73
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.73
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.72
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol		A,B3EKO0.76
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.7
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.7
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.7
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.77
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.7
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.7
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.7
NIONICOTINIC ACIDA1JHQ0.72
NIONICOTINIC ACIDA1L5L0.72
NIONICOTINIC ACIDA2F7F0.72
NIONICOTINIC ACIDA1L5K0.72
NIONICOTINIC ACIDA1JHY0.72
NIONICOTINIC ACIDA,B1FSL0.72
NIONICOTINIC ACIDA1L5M0.72
NIONICOTINIC ACIDA1LH60.72
NIONICOTINIC ACIDA1JHO0.72
NIONICOTINIC ACIDA3CI80.72
NIONICOTINIC ACIDA,B,C,D1ICU0.72
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.72
NIONICOTINIC ACIDA1JHA0.72
NIONICOTINIC ACIDA1JHV0.72
NIONICOTINIC ACIDA1L4N0.72
NIONICOTINIC ACIDA2LH60.72
NIONICOTINIC ACIDA1D0V0.72
NIONICOTINIC ACIDA,B,C,D1ICV0.72
NIONICOTINIC ACIDA,B1ICR0.72
NIONICOTINIC ACIDA1JHR0.72
BDEN'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDEA,B,C,D,E,F2GLP0.83
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.71
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.71
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.73
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.71
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.7
POF(4aS,4bR,10bS,12aS)-12a-methyl-
1,3-dioxo-2-(pyridin-3-ylmethyl)-
1,2,3,4,4a,4b,5,6,10b,11,12,12a-
dodecahydronaphtho[2,1-f]isoquinolin-
8-yl sulfamate		A3C7P0.7
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.76
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH70.74
I04N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZOYLAMINO]-
AZEPAN-3-YL}ISONICOTINAMIDE		A1SVG0.73
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH80.74
P3FPHOSPHORIC ACID MONO-(5-HYDROXY-
6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-
BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-
PYRIDIN-3-YLMETHYL)ESTER		A,B2FQ60.72
I08(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-
6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-
VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE		A1SVH0.73
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.71
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE		A1XHA0.75
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE		A,B1XH50.75
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.7
SAS2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACIDA,B13GS0.71
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE		A1XH60.75
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.72
I05(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-
3-YL}-ISONICOTINAMIDE		A1VEB0.71
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE		A2PE00.73
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FLS0.72
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FM10.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.71