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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02313135

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.75
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.8
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.7
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.78
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
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
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
PMAPYROMELLITIC ACIDA,B1FUP0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.8
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.8
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
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
4FCA1YSG0.76
PHTPHTHALIC ACIDA,B,C2B7P0.76
PHTPHTHALIC ACIDA3C2V0.76
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.76
PHTPHTHALIC ACIDA,B3C2R0.76
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.84
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
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.83
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.73
SMN(S)-MANDELIC ACIDA1MDL0.74
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.71
OSB2-SUCCINYLBENZOATEA1FHV0.8
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.8
OSB2-SUCCINYLBENZOATEA,B2QVH0.8
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.77
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.79
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,D1BAV0.77
PAC2-PHENYLACETIC ACIDB1PNL0.79
PAC2-PHENYLACETIC ACIDB1K5Q0.79
PAC2-PHENYLACETIC ACIDB1FXH0.79
PAC2-PHENYLACETIC ACIDA2ISF0.79
PAC2-PHENYLACETIC ACIDA2INE0.79
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.71
HBXbenzaldehydeA,B3GDN0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.7
BEZBENZOIC ACIDA,B2F8D0.77
BEZBENZOIC ACIDA,B1A8U0.77
BEZBENZOIC ACIDA,B1REE0.77
BEZBENZOIC ACIDA1L7Q0.77
BEZBENZOIC ACIDA1I690.77
BEZBENZOIC ACIDH,L1RUL0.77
BEZBENZOIC ACIDA,B3CCF0.77
BEZBENZOIC ACIDA1W9Q0.77
BEZBENZOIC ACIDA,B,G,J2DU80.77
BEZBENZOIC ACIDH,L1RUA0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.77
BEZBENZOIC ACIDH,L1RU90.77
BEZBENZOIC ACIDA,B,C,D2V320.77
BEZBENZOIC ACIDA2QMQ0.77
BEZBENZOIC ACIDA1UKB0.77
BEZBENZOIC ACIDA,B1RED0.77
BEZBENZOIC ACIDA,B1OC30.77
BEZBENZOIC ACIDA,B1REF0.77
BEZBENZOIC ACIDA,B2O020.77
BEZBENZOIC ACIDA,B2VJ10.77
BEZBENZOIC ACIDA,B,C1WSP0.77
BEZBENZOIC ACIDA1HZ40.77
BEZBENZOIC ACIDA2Q380.77
BEZBENZOIC ACIDA,B,C,D1UUJ0.77
BEZBENZOIC ACIDA,B2QL80.77
BEZBENZOIC ACIDA2Q0I0.77
BEZBENZOIC ACIDA,B1S8F0.77
BEZBENZOIC ACIDD,E,F,G,H1DJR0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.77
BEZBENZOIC ACIDA,B,C,D1I7Q0.77
BEZBENZOIC ACIDA,B,C,D2RHM0.77
BEZBENZOIC ACIDA,B2F780.77
BEZBENZOIC ACIDA,B2VL20.77
BEZBENZOIC ACIDA1HD20.77
BEZBENZOIC ACIDA1JU40.77
BEZBENZOIC ACIDH,L2AJY0.77
BEZBENZOIC ACIDA,B,C3GV10.77
BEZBENZOIC ACIDA2Q6U0.77
BEZBENZOIC ACIDA,B1VE90.77
BEZBENZOIC ACIDA,B1S9A0.77
BEZBENZOIC ACIDH,L,M1OP30.77
BEZBENZOIC ACIDA1W9E0.77
BEZBENZOIC ACIDA,B,C,D2V2G0.77
BEZBENZOIC ACIDH,L2AK10.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.77
BEZBENZOIC ACIDA,B1GYX0.77
BEZBENZOIC ACIDA1V1T0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.77
BEZBENZOIC ACIDA,B1HKQ0.77
BEZBENZOIC ACIDH,L1RUK0.77
BEZBENZOIC ACIDA2Q1B0.77
BEZBENZOIC ACIDH,L1RUM0.77
BEZBENZOIC ACIDA,B2F7A0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.77
BEZBENZOIC ACIDA,B2V7B0.77
BEZBENZOIC ACIDH1NCW0.77
BEZBENZOIC ACIDA,B1TMX0.77
BEZBENZOIC ACIDA1URM0.77
BEZBENZOIC ACIDA1W9O0.77
BEZBENZOIC ACIDA,B,C,D1GXS0.77
BEZBENZOIC ACIDH1RUP0.77
BEZBENZOIC ACIDA,B,C,D1KQB0.77
BEZBENZOIC ACIDA2Q9R0.77
BEZBENZOIC ACIDD,H2OK60.77
BEZBENZOIC ACIDA,B2Q0J0.77
DFADIPHENYLACETIC ACIDA,B,C1GMY0.76
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
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
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.75
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.75
IBPIBUPROFENA3FKX0.8
IBPIBUPROFENA,B2BXG0.8
IBPIBUPROFENA,B1EQG0.8
IBPIBUPROFENA,B,C2WD90.8
IBPIBUPROFENA2PWS0.8
26CA,B2F7I0.75
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.81
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.81
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.81
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.81
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.78
4PH4-methyl-L-phenylalanineB,C3BV90.71
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
BZQDIPHENYLMETHANONEA,B1GT50.74
BZQDIPHENYLMETHANONEA,B1DZP0.74
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
BFLA,B1Q4G0.78
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
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
FLPFLURBIPROFENA,B,C,D3PGH0.76
FLPFLURBIPROFENA,B1CQE0.76
FLPFLURBIPROFENA,B1EQH0.76
FLPFLURBIPROFENA,B2AYL0.76
FLPFLURBIPROFENA1DVT0.76
FLPFLURBIPROFENA1R9O0.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.77
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.77
TRZTRAZEOLIDEA1C120.78
MBOMERCURIBENZOIC ACIDA2QO80.77
MBOMERCURIBENZOIC ACIDA1LUG0.77
MBOMERCURIBENZOIC ACIDA2HOC0.77
MBOMERCURIBENZOIC ACIDA3EFI0.77
MBOMERCURIBENZOIC ACIDA3BL00.77
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.77
MBOMERCURIBENZOIC ACIDA3CAJ0.77
MBOMERCURIBENZOIC ACIDA1DR70.77
MBOMERCURIBENZOIC ACIDA2HL40.77
MBOMERCURIBENZOIC ACIDA2GD80.77
MBOMERCURIBENZOIC ACIDA2QP60.77
MBOMERCURIBENZOIC ACIDA2HD60.77
MBOMERCURIBENZOIC ACIDA3C7P0.77
MBOMERCURIBENZOIC ACIDA,B2JHN0.77
MBOMERCURIBENZOIC ACIDA1DR60.77
MBOMERCURIBENZOIC ACIDA2HNC0.77
MBOMERCURIBENZOIC ACIDA2QOA0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.74
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.7
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.7
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.7
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.7
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
1QZV0.7
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
1VQ60.76
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
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.74
BZSL-BENZYLSUCCINIC ACIDA1CBX0.78
BZSL-BENZYLSUCCINIC ACIDA1HYT0.78
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.79
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.79
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.79
ISFA,B1PGE0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.76
FBCA,B2B9A0.75
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.75
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.75
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.74
7912-PHENYLMALONIC ACIDA1O4P0.82
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.76
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.76
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.81
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.75
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.77
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.83
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.78
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.79
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.79
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.79
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.77