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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02650507

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.82
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.78
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.78
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE		A1FKH0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.78
1LPTRANYLCYPROMINEA,B1OJB0.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.8
BZSL-BENZYLSUCCINIC ACIDA1HYT0.8
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.8
MQ9MENAQUINONE-9C,H,L,M3D380.7
MQ9MENAQUINONE-9C,H,L,M1VRN0.7
MQ9MENAQUINONE-9C,H,L,M2I5N0.7
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.7
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.79
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
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.77
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.77
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.77
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.77
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.79
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.79
4FCA1YSG0.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS20.72
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
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS10.72
MQ7MENAQUINONE-7C,H,L,M1PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.7
MQ7MENAQUINONE-7C,H,L,M5PRC0.7
MQ7MENAQUINONE-7C,H,L,M7PRC0.7
MQ7MENAQUINONE-7C,H,L,M2PRC0.7
MQ7MENAQUINONE-7C,H,L,M1R2C0.7
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.7
MQ7MENAQUINONE-7C,H,L,M3PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.7
MQ7MENAQUINONE-7C,H,L,M2JBL0.7
MQ7MENAQUINONE-7C,H,L,M6PRC0.7
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		1VQ60.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.78
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		1VQP0.78
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		1VQN0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.78
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.76
SMN(S)-MANDELIC ACIDA1MDL0.74
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.73
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.72
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.76
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
BFLA,B1Q4G0.82
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.85
MQ8MENAQUINONE 8C,H,L,M1EYS0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.8
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.75
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.74
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.75
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.75
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.72
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.72
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.72
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.72
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.72
FLPFLURBIPROFENA,B,C,D3PGH0.79
FLPFLURBIPROFENA,B1CQE0.79
FLPFLURBIPROFENA,B1EQH0.79
FLPFLURBIPROFENA,B2AYL0.79
FLPFLURBIPROFENA1DVT0.79
FLPFLURBIPROFENA1R9O0.79
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.7
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID		A,D1RDT0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.81
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.8
FBCA,B2B9A0.7
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
7912-PHENYLMALONIC ACIDA1O4P0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.82
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.82
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.82
IBPIBUPROFENA3FKX0.82
IBPIBUPROFENA,B2BXG0.82
IBPIBUPROFENA,B1EQG0.82
IBPIBUPROFENA,B,C2WD90.82
IBPIBUPROFENA2PWS0.82
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A1TH60.71
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A2ARM0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.79
3PL3-PHENYLPROPANALE1Y3G0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.71
OX1H,Y1LO20.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.71
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid		A3EBI0.7
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.74
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.75
26CA,B2F7I0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.79
S1ASORAPHEN AA,B3GID0.71
S1ASORAPHEN AA,B,C1W960.71
TRZTRAZEOLIDEA1C120.73
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.82
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.71
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.83
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.83
CLT4-PHENYL-BUTANOIC ACIDA1THL0.81
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.81
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.81
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.7
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.75
PAC2-PHENYLACETIC ACIDB1PNL0.77
PAC2-PHENYLACETIC ACIDB1K5Q0.77
PAC2-PHENYLACETIC ACIDB1FXH0.77
PAC2-PHENYLACETIC ACIDA2ISF0.77
PAC2-PHENYLACETIC ACIDA2INE0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.77