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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00498923

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
A2CEK0.72
MTKMONTELUKASTA2NNI0.72
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.71
CTE7-CHLOROTRYPTOPHANA2AR80.71
CTE7-CHLOROTRYPTOPHANA2V7L0.71
B9AMACROCYCLIC-BIS-9-AMINO-ACRIDINEA,B1FD50.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
6CW6-CHLORO-L-TRYPTOPHANB2GV20.73
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.73
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.73
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.7
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE
A1NBP0.71
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.72
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.73
MN82-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINEN1NLP0.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.7
DTE7-CL-D-TRYPTOPHANA2V7M0.71
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE
A2J5E0.74
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE
A1A180.77
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.72