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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01223648

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
1MRN-METHYLANILINEX2OTZ0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.8
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.78
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
264(phenylamino)acetonitrileA2RBN0.7
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.7
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.7
34A3,4-DIMETHYLANILINEA1L4K0.76