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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02298501

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.73
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.78
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.7
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.7
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
FBCA,B2B9A0.76
PMAPYROMELLITIC ACIDA,B1FUP0.7
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.75
7912-PHENYLMALONIC ACIDA1O4P0.77
5PV5-PHENYLVALERIC ACIDA,B2AY90.78
B28A,B2E9A0.74
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.77
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.75
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.86
SMN(S)-MANDELIC ACIDA1MDL0.7
TRZTRAZEOLIDEA1C120.71
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
EQUEQUILENINA,B1OGX0.73
EQUEQUILENINA,B,C,D,E,F1QJG0.73
EQUEQUILENINA,B1OH00.73
EQUEQUILENINA1W6Y0.73
EQUEQUILENINA,B1CQS0.73
EQUEQUILENINA1OGZ0.73
EQUEQUILENINA1GS30.73
EQUEQUILENINA1OHO0.73
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.75
26CA,B2F7I0.76
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
ANFANTHRONEH2BJM0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid		A3FUG0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
OX1H,Y1LO20.79
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.75
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.75
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.75
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.75
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.77
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.77
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.78
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.78
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.78
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.81
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.75
HCIHYDROCINNAMIC ACIDA,B1BXG0.77
HCIHYDROCINNAMIC ACIDA,B1TOG0.77
HCIHYDROCINNAMIC ACIDA,B1V2F0.77
HCIHYDROCINNAMIC ACIDA,B1AHX0.77
HCIHYDROCINNAMIC ACIDA1TOI0.77
HCIHYDROCINNAMIC ACIDA,B1AY80.77
HCIHYDROCINNAMIC ACIDA1TOJ0.77
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.7
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,G1MZN0.7
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		1VQ60.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.72
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		1VQP0.72
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		1VQN0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.72
B08A,B2E990.73
173BENZOYL-FORMIC ACIDA,B1SZE0.72
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.75
BZSL-BENZYLSUCCINIC ACIDA1HYT0.75
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.75
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.77
4FCA1YSG0.77
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.79
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.74
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.83
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE		A2Q850.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.74
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.73
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.85
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.81
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.71
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.73
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FD00.79
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.93
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.93
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.94
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.94
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL		A1DJD0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1DL40.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1I7V0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1QBY0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.81
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.73
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.7
IBPIBUPROFENA3FKX0.81
IBPIBUPROFENA,B2BXG0.81
IBPIBUPROFENA,B1EQG0.81
IBPIBUPROFENA,B,C2WD90.81
IBPIBUPROFENA2PWS0.81
BFLA,B1Q4G0.85
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A2ROU0.76
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A1HX40.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1MXJ0.76
OSB2-SUCCINYLBENZOATEA1FHV0.73
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.73
OSB2-SUCCINYLBENZOATEA,B2QVH0.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A,P,T2I9G0.76
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL		A1HWV0.76
FLPFLURBIPROFENA,B,C,D3PGH0.82
FLPFLURBIPROFENA,B1CQE0.82
FLPFLURBIPROFENA,B1EQH0.82
FLPFLURBIPROFENA,B2AYL0.82
FLPFLURBIPROFENA1DVT0.82
FLPFLURBIPROFENA1R9O0.82
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.84
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.84
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.83
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID		A1BZJ0.77
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.74
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.77
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.77
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.77
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.77
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.77
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.77
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.77
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.77
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.7
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.93
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7