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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03003256

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLT4-PHENYL-BUTANOIC ACIDA1THL0.74
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.74
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.74
HCIHYDROCINNAMIC ACIDA,B1TOG0.74
HCIHYDROCINNAMIC ACIDA,B1V2F0.74
HCIHYDROCINNAMIC ACIDA,B1AHX0.74
HCIHYDROCINNAMIC ACIDA1TOI0.74
HCIHYDROCINNAMIC ACIDA,B1AY80.74
HCIHYDROCINNAMIC ACIDA1TOJ0.74
1LPTRANYLCYPROMINEA,B1OJB0.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
AC01-PHENYLETHANONEA1ZK10.75
AC01-PHENYLETHANONEA1ZK40.75
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
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
3PL3-PHENYLPROPANALE1Y3G0.82
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
N4BN-BUTYLBENZENEA186L0.71
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.76
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.8
HBXbenzaldehydeA,B3GDN0.73
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.72
VK3MENADIONEA1TUV0.7
VK3MENADIONEA,B2QR20.7
HY1PHENYLACETALDEHYDED,H2I0S0.81
HY1PHENYLACETALDEHYDEA,B1D6Y0.81
HY1PHENYLACETALDEHYDEA,B1D6Z0.81
HY1PHENYLACETALDEHYDED,H2OK40.81
HY1PHENYLACETALDEHYDEA,B1D6U0.81
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.75
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.8
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
FPRPROPYLBENZENEC1RHK0.71
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.74
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72