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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253093

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.75
SMN(S)-MANDELIC ACIDA1MDL0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.74
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
DIC3,4-DICHLOROISOCOUMARINA1DIC0.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.84
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.77
IBPIBUPROFENA3FKX0.84
IBPIBUPROFENA,B2BXG0.84
IBPIBUPROFENA,B1EQG0.84
IBPIBUPROFENA,B,C2WD90.84
IBPIBUPROFENA2PWS0.84
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.8
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.8
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.84
BFLA,B1Q4G0.82
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.74
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.74
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.74
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.74
173BENZOYL-FORMIC ACIDA,B1SZE0.72
7912-PHENYLMALONIC ACIDA1O4P0.79
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.72
4FCA1YSG0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.8
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.8
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.76
HCIHYDROCINNAMIC ACIDA,B1TOG0.76
HCIHYDROCINNAMIC ACIDA,B1V2F0.76
HCIHYDROCINNAMIC ACIDA,B1AHX0.76
HCIHYDROCINNAMIC ACIDA1TOI0.76
HCIHYDROCINNAMIC ACIDA,B1AY80.76
HCIHYDROCINNAMIC ACIDA1TOJ0.76
1LPTRANYLCYPROMINEA,B1OJB0.75
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.8
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.7
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76
FLPFLURBIPROFENA,B,C,D3PGH0.8
FLPFLURBIPROFENA,B1CQE0.8
FLPFLURBIPROFENA,B1EQH0.8
FLPFLURBIPROFENA,B2AYL0.8
FLPFLURBIPROFENA1DVT0.8
FLPFLURBIPROFENA1R9O0.8
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.72
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.7
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.7