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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03337285

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,H1MHW0.76
3PL3-PHENYLPROPANALE1Y3G0.81
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.84
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
I4BISOBUTYLBENZENEA184L0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
FPRPROPYLBENZENEC1RHK0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.73
PMSBENZYLSULFINIC ACIDB1PNM0.71
PMSBENZYLSULFINIC ACIDA,B1SH70.71
PMSBENZYLSULFINIC ACIDB,C1BB00.71
PMSBENZYLSULFINIC ACIDA,B1S2N0.71
PMSBENZYLSULFINIC ACIDA,B1WB80.71
PMSBENZYLSULFINIC ACIDA,B,C3CE40.71
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.71
PMSBENZYLSULFINIC ACIDA3H180.71
PMSBENZYLSULFINIC ACIDA3H170.71
PMSBENZYLSULFINIC ACIDA2CBG0.71
PMSBENZYLSULFINIC ACIDA1SUP0.71
PMSBENZYLSULFINIC ACIDA,B1V6C0.71
PMSBENZYLSULFINIC ACIDA,B1WPR0.71
PMSBENZYLSULFINIC ACIDA,B1EQ90.71
PMSBENZYLSULFINIC ACIDA,B1AUR0.71
PMSBENZYLSULFINIC ACIDA1KLT0.71
PMSBENZYLSULFINIC ACIDB,C1CA80.71
PMSBENZYLSULFINIC ACIDA2GKO0.71
PMSBENZYLSULFINIC ACIDB,C,D1BA80.71
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.75
1LPTRANYLCYPROMINEA,B1OJB0.8
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.75
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.7
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
VK3MENADIONEA1TUV0.73
VK3MENADIONEA,B2QR20.73
N4BN-BUTYLBENZENEA186L0.74
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
BZQDIPHENYLMETHANONEA,B1GT50.75
BZQDIPHENYLMETHANONEA,B1DZP0.75
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
HY1PHENYLACETALDEHYDED,H2I0S0.82
HY1PHENYLACETALDEHYDEA,B1D6Y0.82
HY1PHENYLACETALDEHYDEA,B1D6Z0.82
HY1PHENYLACETALDEHYDED,H2OK40.82
HY1PHENYLACETALDEHYDEA,B1D6U0.82
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.77
HBXbenzaldehydeA,B3GDN0.73
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
AC01-PHENYLETHANONEA1ZK10.8
AC01-PHENYLETHANONEA1ZK40.8
BCSBENZYLCYSTEINEA,B,G,H10GS0.7
BCSBENZYLCYSTEINEA1EH80.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.76
STF(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-
1,3-THIAZOL-4-ONE
A2EXG0.73
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72