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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03507151

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.85
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.8
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
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
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.87
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.87
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.75
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
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.78
173BENZOYL-FORMIC ACIDA,B1SZE0.73
B28A,B2E9A0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
BZSL-BENZYLSUCCINIC ACIDA1CBX0.8
BZSL-BENZYLSUCCINIC ACIDA1HYT0.8
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.8
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
EQUEQUILENINA,B1OGX0.75
EQUEQUILENINA,B,C,D,E,F1QJG0.75
EQUEQUILENINA,B1OH00.75
EQUEQUILENINA1W6Y0.75
EQUEQUILENINA,B1CQS0.75
EQUEQUILENINA1OGZ0.75
EQUEQUILENINA1GS30.75
EQUEQUILENINA1OHO0.75
PMAPYROMELLITIC ACIDA,B1FUP0.72
OX1H,Y1LO20.8
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.74
TRZTRAZEOLIDEA1C120.76
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.74
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.7
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.7
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
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
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.72
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,G1MZN0.72
HCIHYDROCINNAMIC ACIDA,B1BXG0.78
HCIHYDROCINNAMIC ACIDA,B1TOG0.78
HCIHYDROCINNAMIC ACIDA,B1V2F0.78
HCIHYDROCINNAMIC ACIDA,B1AHX0.78
HCIHYDROCINNAMIC ACIDA1TOI0.78
HCIHYDROCINNAMIC ACIDA,B1AY80.78
HCIHYDROCINNAMIC ACIDA1TOJ0.78
B08A,B2E990.74
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.7
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
PAC2-PHENYLACETIC ACIDB1PNL0.81
PAC2-PHENYLACETIC ACIDB1K5Q0.81
PAC2-PHENYLACETIC ACIDB1FXH0.81
PAC2-PHENYLACETIC ACIDA2ISF0.81
PAC2-PHENYLACETIC ACIDA2INE0.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.89
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.89
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.78
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
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.79
DFADIPHENYLACETIC ACIDA,B,C1GMY0.87
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
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.94
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.94
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.75
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,D1RDT0.71
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.7
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
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.71
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
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.76
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.76
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.76
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.76
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.76
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.81
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.76
2NAnaphthalen-2-ylmethanolA,B,C3EE50.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.75
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.83
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.74
FBCA,B2B9A0.77
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.75
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.79
4FCA1YSG0.78
SMN(S)-MANDELIC ACIDA1MDL0.71
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.75
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.75
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.79
FLPFLURBIPROFENA,B,C,D3PGH0.87
FLPFLURBIPROFENA,B1CQE0.87
FLPFLURBIPROFENA,B1EQH0.87
FLPFLURBIPROFENA,B2AYL0.87
FLPFLURBIPROFENA1DVT0.87
FLPFLURBIPROFENA1R9O0.87
BFLA,B1Q4G0.89
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.73
OSB2-SUCCINYLBENZOATEA1FHV0.75
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.75
OSB2-SUCCINYLBENZOATEA,B2QVH0.75
IBPIBUPROFENA3FKX0.87
IBPIBUPROFENA,B2BXG0.87
IBPIBUPROFENA,B1EQG0.87
IBPIBUPROFENA,B,C2WD90.87
IBPIBUPROFENA2PWS0.87
CLT4-PHENYL-BUTANOIC ACIDA1THL0.79
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.79
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.79
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.82
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.83
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.71
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.74
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.82
7912-PHENYLMALONIC ACIDA1O4P0.82
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.75
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.78
PHTPHTHALIC ACIDA,B,C2B7P0.73
PHTPHTHALIC ACIDA3C2V0.73
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.73
PHTPHTHALIC ACIDA,B3C2R0.73
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.92
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.76
26CA,B2F7I0.77
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
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.72
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.78