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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02806319

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
BDBA,B1KE30.74
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.81
HY1PHENYLACETALDEHYDED,H2I0S0.74
HY1PHENYLACETALDEHYDEA,B1D6Y0.74
HY1PHENYLACETALDEHYDEA,B1D6Z0.74
HY1PHENYLACETALDEHYDED,H2OK40.74
HY1PHENYLACETALDEHYDEA,B1D6U0.74
I4BISOBUTYLBENZENEA184L0.78
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
N4BN-BUTYLBENZENEA186L0.8
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
OXEORTHO-XYLENEA,B3E0X0.78
OXEORTHO-XYLENEA188L0.78
DENINDENEA183L0.72
2HT3-methylbenzonitrileA,B3F880.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.84
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.84
FPRPROPYLBENZENEC1RHK0.8
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.72
1LPTRANYLCYPROMINEA,B1OJB0.72
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.94
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.94
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.94
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.94
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.94
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.94
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
PXYPARA-XYLENEA187L0.8
PXYPARA-XYLENEA225L0.8
3PL3-PHENYLPROPANALE1Y3G0.75
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.72
MBNTOLUENEA,B3D7O0.8
MBNTOLUENEA,B1R1X0.8
MBNTOLUENEA,B1JLX0.8
MBNTOLUENEA,B,C,D3D170.8
MBNTOLUENEA,B2VRL0.8
MBNTOLUENEA,I2Z3E0.8
MBNTOLUENEA,B1YZI0.8
MBNTOLUENEA,B2DN10.8
MBNTOLUENEA,B3EN10.8
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.8