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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00269290

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE
A2CEK0.77
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.71
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.7
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
MTKMONTELUKASTA2NNI0.75
B9AMACROCYCLIC-BIS-9-AMINO-ACRIDINEA,B1FD50.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.76
QNC2-CARBONYLQUINOLINEA,B1MTB0.72
QNC2-CARBONYLQUINOLINEA,B2FGV0.72
QNC2-CARBONYLQUINOLINEI1IVQ0.72
QNC2-CARBONYLQUINOLINEA,B2FGU0.72
QNC2-CARBONYLQUINOLINEA1JLD0.72
QNC2-CARBONYLQUINOLINEA,B1HXB0.72
PRLPROFLAVINH,I1BCU0.72
PRLPROFLAVINA,B,D,E1QVT0.72
PRLPROFLAVINA,B2KD40.72
PRLPROFLAVINA1QVU0.72
BRFA1UUO0.72
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.73
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE
A1A180.75
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.78
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.7
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.73
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE
A2J5E0.72
2AQQUINOLIN-2-AMINEA2OHL0.71
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.73
QNDQUINALDIC ACIDA,B1IDA0.72
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
THATACRINEA,B2AOW0.74
THATACRINEA,B,C,D,E,F1MX10.74
THATACRINEA,B2AOX0.74
THATACRINEA1ACJ0.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.73
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.72
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE
A,B1IA30.71