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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01078913

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.74
N4BN-BUTYLBENZENEA186L0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
DENINDENEA183L0.74
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
PYLPHENYLETHANEC1B070.83
PYLPHENYLETHANEA,B2VRM0.83
PYLPHENYLETHANEA1NHB0.83
PMSBENZYLSULFINIC ACIDB1PNM0.76
PMSBENZYLSULFINIC ACIDA,B1SH70.76
PMSBENZYLSULFINIC ACIDB,C1BB00.76
PMSBENZYLSULFINIC ACIDA,B1S2N0.76
PMSBENZYLSULFINIC ACIDA,B1WB80.76
PMSBENZYLSULFINIC ACIDA,B,C3CE40.76
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.76
PMSBENZYLSULFINIC ACIDA3H180.76
PMSBENZYLSULFINIC ACIDA3H170.76
PMSBENZYLSULFINIC ACIDA2CBG0.76
PMSBENZYLSULFINIC ACIDA1SUP0.76
PMSBENZYLSULFINIC ACIDA,B1V6C0.76
PMSBENZYLSULFINIC ACIDA,B1WPR0.76
PMSBENZYLSULFINIC ACIDA,B1EQ90.76
PMSBENZYLSULFINIC ACIDA,B1AUR0.76
PMSBENZYLSULFINIC ACIDA1KLT0.76
PMSBENZYLSULFINIC ACIDB,C1CA80.76
PMSBENZYLSULFINIC ACIDA2GKO0.76
PMSBENZYLSULFINIC ACIDB,C,D1BA80.76
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.76
MBNTOLUENEA,B3D7O0.85
MBNTOLUENEA,B1R1X0.85
MBNTOLUENEA,B1JLX0.85
MBNTOLUENEA,B,C,D3D170.85
MBNTOLUENEA,B2VRL0.85
MBNTOLUENEA,I2Z3E0.85
MBNTOLUENEA,B1YZI0.85
MBNTOLUENEA,B2DN10.85
MBNTOLUENEA,B3EN10.85
2HT3-methylbenzonitrileA,B3F880.72
PBCPHENYL BORONIC ACIDA2A320.75
PBCPHENYL BORONIC ACIDA1JU30.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.79
BDBA,B1KE30.78
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.86
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.86
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.86
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.86
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.86
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.86
TLD4-methylbenzene-1,2-dithiolA2Z940.72
PA0Phenylarsine oxideA3E3Z0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
BNZBENZENEA1L830.7
BNZBENZENEA1CP40.7
BNZBENZENEA,B,C,D1XXJ0.7
BNZBENZENEB1SWI0.7
BNZBENZENEA181L0.7
BNZBENZENEA223L0.7
BNZBENZENEA3DMX0.7
BNZBENZENEA2Z9G0.7
BNZBENZENEA220L0.7
BNZBENZENEA227L0.7
BNZBENZENEA,B1A7Z0.7
BNZBENZENEA1L840.7
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.94
OXEORTHO-XYLENEA,B3E0X0.8
OXEORTHO-XYLENEA188L0.8
TOSP-SULFINOTOLUENEH1ETT0.74
TOSP-SULFINOTOLUENEI4PAD0.74
TOSP-SULFINOTOLUENEA1EST0.74
TOSP-SULFINOTOLUENEC,G2CHA0.74
TOSP-SULFINOTOLUENEE1PPH0.74
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.79
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.8
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.86
FPRPROPYLBENZENEC1RHK0.83
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.73
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.78
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.73
PHGPHENYLMERCURYA1CZS0.7
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.71
PXYPARA-XYLENEA187L0.83
PXYPARA-XYLENEA225L0.83
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.7
B69A2ZCR0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
I4BISOBUTYLBENZENEA184L0.8
NPYNAPHTHALENEA,B1O7G0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73