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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03283809

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
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
SMN(S)-MANDELIC ACIDA1MDL0.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.78
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.78
1LPTRANYLCYPROMINEA,B1OJB0.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.8
BZSL-BENZYLSUCCINIC ACIDA1HYT0.8
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.84
IBPIBUPROFENA3FKX0.84
IBPIBUPROFENA,B2BXG0.84
IBPIBUPROFENA,B1EQG0.84
IBPIBUPROFENA,B,C2WD90.84
IBPIBUPROFENA2PWS0.84
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.77
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.77
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.77
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.77
TRZTRAZEOLIDEA1C120.71
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.71
BEZBENZOIC ACIDA,B2F8D0.7
BEZBENZOIC ACIDA,B1A8U0.7
BEZBENZOIC ACIDA,B1REE0.7
BEZBENZOIC ACIDA1L7Q0.7
BEZBENZOIC ACIDA1I690.7
BEZBENZOIC ACIDH,L1RUL0.7
BEZBENZOIC ACIDA,B3CCF0.7
BEZBENZOIC ACIDA1W9Q0.7
BEZBENZOIC ACIDA,B,G,J2DU80.7
BEZBENZOIC ACIDH,L1RUA0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.7
BEZBENZOIC ACIDH,L1RU90.7
BEZBENZOIC ACIDA,B,C,D2V320.7
BEZBENZOIC ACIDA2QMQ0.7
BEZBENZOIC ACIDA1UKB0.7
BEZBENZOIC ACIDA,B1RED0.7
BEZBENZOIC ACIDA,B1OC30.7
BEZBENZOIC ACIDA,B1REF0.7
BEZBENZOIC ACIDA,B2O020.7
BEZBENZOIC ACIDA,B2VJ10.7
BEZBENZOIC ACIDA,B,C1WSP0.7
BEZBENZOIC ACIDA1HZ40.7
BEZBENZOIC ACIDA2Q380.7
BEZBENZOIC ACIDA,B,C,D1UUJ0.7
BEZBENZOIC ACIDA,B2QL80.7
BEZBENZOIC ACIDA2Q0I0.7
BEZBENZOIC ACIDA,B1S8F0.7
BEZBENZOIC ACIDD,E,F,G,H1DJR0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.7
BEZBENZOIC ACIDA,B,C,D1I7Q0.7
BEZBENZOIC ACIDA,B,C,D2RHM0.7
BEZBENZOIC ACIDA,B2F780.7
BEZBENZOIC ACIDA,B2VL20.7
BEZBENZOIC ACIDA1HD20.7
BEZBENZOIC ACIDA1JU40.7
BEZBENZOIC ACIDH,L2AJY0.7
BEZBENZOIC ACIDA,B,C3GV10.7
BEZBENZOIC ACIDA2Q6U0.7
BEZBENZOIC ACIDA,B1VE90.7
BEZBENZOIC ACIDA,B1S9A0.7
BEZBENZOIC ACIDH,L,M1OP30.7
BEZBENZOIC ACIDA1W9E0.7
BEZBENZOIC ACIDA,B,C,D2V2G0.7
BEZBENZOIC ACIDH,L2AK10.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.7
BEZBENZOIC ACIDA,B1GYX0.7
BEZBENZOIC ACIDA1V1T0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.7
BEZBENZOIC ACIDA,B1HKQ0.7
BEZBENZOIC ACIDH,L1RUK0.7
BEZBENZOIC ACIDA2Q1B0.7
BEZBENZOIC ACIDH,L1RUM0.7
BEZBENZOIC ACIDA,B2F7A0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.7
BEZBENZOIC ACIDA,B2V7B0.7
BEZBENZOIC ACIDH1NCW0.7
BEZBENZOIC ACIDA,B1TMX0.7
BEZBENZOIC ACIDA1URM0.7
BEZBENZOIC ACIDA1W9O0.7
BEZBENZOIC ACIDA,B,C,D1GXS0.7
BEZBENZOIC ACIDH1RUP0.7
BEZBENZOIC ACIDA,B,C,D1KQB0.7
BEZBENZOIC ACIDA2Q9R0.7
BEZBENZOIC ACIDD,H2OK60.7
BEZBENZOIC ACIDA,B2Q0J0.7
PAC2-PHENYLACETIC ACIDB1PNL0.81
PAC2-PHENYLACETIC ACIDB1K5Q0.81
PAC2-PHENYLACETIC ACIDB1FXH0.81
PAC2-PHENYLACETIC ACIDA2ISF0.81
PAC2-PHENYLACETIC ACIDA2INE0.81
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.79
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.79
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.77
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
OX1H,Y1LO20.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.81
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.81
MBOMERCURIBENZOIC ACIDA2QO80.7
MBOMERCURIBENZOIC ACIDA1LUG0.7
MBOMERCURIBENZOIC ACIDA2HOC0.7
MBOMERCURIBENZOIC ACIDA3EFI0.7
MBOMERCURIBENZOIC ACIDA3BL00.7
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.7
MBOMERCURIBENZOIC ACIDA3CAJ0.7
MBOMERCURIBENZOIC ACIDA1DR70.7
MBOMERCURIBENZOIC ACIDA2HL40.7
MBOMERCURIBENZOIC ACIDA2GD80.7
MBOMERCURIBENZOIC ACIDA2QP60.7
MBOMERCURIBENZOIC ACIDA2HD60.7
MBOMERCURIBENZOIC ACIDA3C7P0.7
MBOMERCURIBENZOIC ACIDA,B2JHN0.7
MBOMERCURIBENZOIC ACIDA1DR60.7
MBOMERCURIBENZOIC ACIDA2HNC0.7
MBOMERCURIBENZOIC ACIDA2QOA0.7
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.77
HCIHYDROCINNAMIC ACIDA,B1BXG0.8
HCIHYDROCINNAMIC ACIDA,B1TOG0.8
HCIHYDROCINNAMIC ACIDA,B1V2F0.8
HCIHYDROCINNAMIC ACIDA,B1AHX0.8
HCIHYDROCINNAMIC ACIDA1TOI0.8
HCIHYDROCINNAMIC ACIDA,B1AY80.8
HCIHYDROCINNAMIC ACIDA1TOJ0.8
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
FBCA,B2B9A0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.79
FLPFLURBIPROFENA,B,C,D3PGH0.81
FLPFLURBIPROFENA,B1CQE0.81
FLPFLURBIPROFENA,B1EQH0.81
FLPFLURBIPROFENA,B2AYL0.81
FLPFLURBIPROFENA1DVT0.81
FLPFLURBIPROFENA1R9O0.81
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.79
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.72
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
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		1VQ60.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.76
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		1VQP0.76
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		1VQN0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.76
CLT4-PHENYL-BUTANOIC ACIDA1THL0.79
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.79
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.79
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.83
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.79
OSB2-SUCCINYLBENZOATEA1FHV0.73
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.73
OSB2-SUCCINYLBENZOATEA,B2QVH0.73
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.72
4FCA1YSG0.73
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.73
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
BFLA,B1Q4G0.84
7912-PHENYLMALONIC ACIDA1O4P0.8
26CA,B2F7I0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.86
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.74