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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02876710

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
DENINDENEA183L0.73
B28A,B2E9A0.75
B69A2ZCR0.8
I4BISOBUTYLBENZENEA184L0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.8
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.8
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.8
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
NPYNAPHTHALENEA,B1O7G0.77
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.81
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.8
FPRPROPYLBENZENEC1RHK0.78
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.7
BPSA,B2DE40.74
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
AN3ANTHRACENEA,B2HMN0.73
AN3ANTHRACENEA,B2HMM0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.7
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.7
PEYPHENANTHRENEA,B2HML0.73
PEYPHENANTHRENEA,B2HMK0.73
B08A,B2E990.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.88
PMSBENZYLSULFINIC ACIDB1PNM0.7
PMSBENZYLSULFINIC ACIDA,B1SH70.7
PMSBENZYLSULFINIC ACIDB,C1BB00.7
PMSBENZYLSULFINIC ACIDA,B1S2N0.7
PMSBENZYLSULFINIC ACIDA,B1WB80.7
PMSBENZYLSULFINIC ACIDA,B,C3CE40.7
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.7
PMSBENZYLSULFINIC ACIDA3H180.7
PMSBENZYLSULFINIC ACIDA3H170.7
PMSBENZYLSULFINIC ACIDA2CBG0.7
PMSBENZYLSULFINIC ACIDA1SUP0.7
PMSBENZYLSULFINIC ACIDA,B1V6C0.7
PMSBENZYLSULFINIC ACIDA,B1WPR0.7
PMSBENZYLSULFINIC ACIDA,B1EQ90.7
PMSBENZYLSULFINIC ACIDA,B1AUR0.7
PMSBENZYLSULFINIC ACIDA1KLT0.7
PMSBENZYLSULFINIC ACIDB,C1CA80.7
PMSBENZYLSULFINIC ACIDA2GKO0.7
PMSBENZYLSULFINIC ACIDB,C,D1BA80.7
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.8
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.84
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.72
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.8
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.8
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.86
N4BN-BUTYLBENZENEA186L0.78
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.75
BDBA,B1KE30.87
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.81