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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02173084

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.71
CPUA,B1CR60.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.71
8171-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-
3-TRIFLUOROMETHYL-BENZENE
A2ANO0.71
352(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-
5-(1-hydroxy-1-methylethyl)-5-methyl-
1,3-thiazol-4(5H)-one
A,B,C,D3EY40.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.75
C1A1,4-BIS-{[N-(1-IMINO-1GUANIDINO-
METHYL)]SULFANYLMETHYL}-3,6-DIMETHYL-
BENZENE
A2ANQ0.71