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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00232381

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde
A2ZAZ0.77
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.71
PFE{4-[3-(6,7-DIETHOXY-QUINAZOLIN-
4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-
METHANOL
A,F1KZ80.72
CY7S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-
(PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}-
3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN-
6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]-
3-OXOPROPYL}-L-CYSTEINE
A,B2JIV0.71
QUNQUINACRINEA,B1JQE0.72
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.7
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE
A1DI90.74
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.71
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
A,B3EDZ0.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.7
TEI2-(3-CYANO-4-ISOBUTOXY-PHENYL)-
4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
A,B1N5X0.7
T985-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-
2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-
1H-PYRROLE-2-CARBONITRILE
A,B1ZUC0.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.7
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.71
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.7
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.7
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.72