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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02404627

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.72
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		1VQ60.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.73
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		1VQP0.73
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		1VQN0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.79
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.87
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.75
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.75
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.73
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,G1MZN0.73
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.77
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.72
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.71
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.71
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.71
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.71
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		1QZV0.71
VK3MENADIONEA1TUV0.71
VK3MENADIONEA,B2QR20.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.78
173BENZOYL-FORMIC ACIDA,B1SZE0.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.74
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.84
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.78
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.81
7912-PHENYLMALONIC ACIDA1O4P0.75
BFLA,B1Q4G0.83
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.84
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.78
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.75
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.75
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.75
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.75
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.75
OX1H,Y1LO20.74
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.81
4PH4-methyl-L-phenylalanineB,C3BV90.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.8
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.76
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.76
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.76
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.76
CLT4-PHENYL-BUTANOIC ACIDA1THL0.82
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.82
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.82
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
MQ9MENAQUINONE-9C,H,L,M3D380.71
MQ9MENAQUINONE-9C,H,L,M1VRN0.71
MQ9MENAQUINONE-9C,H,L,M2I5N0.71
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.71
26CA,B2F7I0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.85
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.85
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,D1RDT0.73
3PL3-PHENYLPROPANALE1Y3G0.72
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.77
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.77
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.76
IBPIBUPROFENA3FKX0.83
IBPIBUPROFENA,B2BXG0.83
IBPIBUPROFENA,B1EQG0.83
IBPIBUPROFENA,B,C2WD90.83
IBPIBUPROFENA2PWS0.83
MQ7MENAQUINONE-7C,H,L,M1PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.71
MQ7MENAQUINONE-7C,H,L,M5PRC0.71
MQ7MENAQUINONE-7C,H,L,M7PRC0.71
MQ7MENAQUINONE-7C,H,L,M2PRC0.71
MQ7MENAQUINONE-7C,H,L,M1R2C0.71
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.71
MQ7MENAQUINONE-7C,H,L,M3PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.71
MQ7MENAQUINONE-7C,H,L,M2JBL0.71
MQ7MENAQUINONE-7C,H,L,M6PRC0.71
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
1LPTRANYLCYPROMINEA,B1OJB0.73
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID		A1BZJ0.7
TRZTRAZEOLIDEA1C120.74
BZSL-BENZYLSUCCINIC ACIDA1CBX0.78
BZSL-BENZYLSUCCINIC ACIDA1HYT0.78
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.78
FBCA,B2B9A0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.81
HCIHYDROCINNAMIC ACIDA,B1TOG0.81
HCIHYDROCINNAMIC ACIDA,B1V2F0.81
HCIHYDROCINNAMIC ACIDA,B1AHX0.81
HCIHYDROCINNAMIC ACIDA1TOI0.81
HCIHYDROCINNAMIC ACIDA,B1AY80.81
HCIHYDROCINNAMIC ACIDA1TOJ0.81
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.72
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.76
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
4FCA1YSG0.73
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.77
5PV5-PHENYLVALERIC ACIDA,B2AY90.82
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.82
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.82
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.83
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.83
FLPFLURBIPROFENA,B,C,D3PGH0.8
FLPFLURBIPROFENA,B1CQE0.8
FLPFLURBIPROFENA,B1EQH0.8
FLPFLURBIPROFENA,B2AYL0.8
FLPFLURBIPROFENA1DVT0.8
FLPFLURBIPROFENA1R9O0.8
MQ8MENAQUINONE 8C,H,L,M1EYS0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.72
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.72