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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02861396

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.75
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.7
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.76
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
ZAP[N-(BENZYLOXYCARBONYL)AMINO](4-
AMIDINOPHENYL)METHANE-PHOSPHONATE
A1MAX0.71
ZAP[N-(BENZYLOXYCARBONYL)AMINO](4-
AMIDINOPHENYL)METHANE-PHOSPHONATE
A1MAY0.71
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.77
271N-methyl-1-phenylmethanamineX2RBT0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72