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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331637

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.92
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.92
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
A1F400.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.7
IT1(E)-N~6~-({3-hydroxy-2-methyl-5-
[(phosphonooxy)methyl]pyridin-4-
yl}methylidene)-L-lysine
A,B,C,D3DR70.7
IT1(E)-N~6~-({3-hydroxy-2-methyl-5-
[(phosphonooxy)methyl]pyridin-4-
yl}methylidene)-L-lysine
A,B,C,D3BN10.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.73
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.73
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.75
3MP3-METHYLPYRIDINEA1EUB0.7
3MP3-METHYLPYRIDINEA1BM60.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.75
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
HEY(2E)-2-[({3-HYDROXY-2-METHYL-5-
[(PHOSPHONOOXY)METHYL]PYRIDIN-4-
YL}METHYL)AMINO]-5-PHOSPHONOPENT-
2-ENOIC ACID
A,B,C,D1V7C0.7
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID
A2Q8S0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.77
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.77
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.78
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.7
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.74
FOO(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}-2-IMINOBUT-3-ENOIC ACID
B2J9Y0.71