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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02308426

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.79
OSB2-SUCCINYLBENZOATEA1FHV0.76
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.76
OSB2-SUCCINYLBENZOATEA,B2QVH0.76
MBOMERCURIBENZOIC ACIDA2QO80.76
MBOMERCURIBENZOIC ACIDA1LUG0.76
MBOMERCURIBENZOIC ACIDA2HOC0.76
MBOMERCURIBENZOIC ACIDA3EFI0.76
MBOMERCURIBENZOIC ACIDA3BL00.76
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.76
MBOMERCURIBENZOIC ACIDA3CAJ0.76
MBOMERCURIBENZOIC ACIDA1DR70.76
MBOMERCURIBENZOIC ACIDA2HL40.76
MBOMERCURIBENZOIC ACIDA2GD80.76
MBOMERCURIBENZOIC ACIDA2QP60.76
MBOMERCURIBENZOIC ACIDA2HD60.76
MBOMERCURIBENZOIC ACIDA3C7P0.76
MBOMERCURIBENZOIC ACIDA,B2JHN0.76
MBOMERCURIBENZOIC ACIDA1DR60.76
MBOMERCURIBENZOIC ACIDA2HNC0.76
MBOMERCURIBENZOIC ACIDA2QOA0.76
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.78
BZQDIPHENYLMETHANONEA,B1GT50.83
BZQDIPHENYLMETHANONEA,B1DZP0.83
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.78
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.78
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.72
SAL2-HYDROXYBENZOIC ACIDA2I300.72
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.72
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.72
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.72
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.72
SAL2-HYDROXYBENZOIC ACIDA1WYG0.72
SAL2-HYDROXYBENZOIC ACIDA1JGS0.72
SAL2-HYDROXYBENZOIC ACIDX1M6E0.72
SAL2-HYDROXYBENZOIC ACIDA3B9M0.72
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.72
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.72
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.72
HY1PHENYLACETALDEHYDED,H2I0S0.75
HY1PHENYLACETALDEHYDEA,B1D6Y0.75
HY1PHENYLACETALDEHYDEA,B1D6Z0.75
HY1PHENYLACETALDEHYDED,H2OK40.75
HY1PHENYLACETALDEHYDEA,B1D6U0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.71
MQ9MENAQUINONE-9C,H,L,M3D380.78
MQ9MENAQUINONE-9C,H,L,M1VRN0.78
MQ9MENAQUINONE-9C,H,L,M2I5N0.78
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.78
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.83
IBPIBUPROFENA3FKX0.75
IBPIBUPROFENA,B2BXG0.75
IBPIBUPROFENA,B1EQG0.75
IBPIBUPROFENA,B,C2WD90.75
IBPIBUPROFENA2PWS0.75
FBCA,B2B9A0.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
VK3MENADIONEA1TUV0.83
VK3MENADIONEA,B2QR20.83
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.78
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.82
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.75
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.7
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.8
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.82
MQ7MENAQUINONE-7C,H,L,M1PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.78
MQ7MENAQUINONE-7C,H,L,M5PRC0.78
MQ7MENAQUINONE-7C,H,L,M7PRC0.78
MQ7MENAQUINONE-7C,H,L,M2PRC0.78
MQ7MENAQUINONE-7C,H,L,M1R2C0.78
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.78
MQ7MENAQUINONE-7C,H,L,M3PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.78
MQ7MENAQUINONE-7C,H,L,M2JBL0.78
MQ7MENAQUINONE-7C,H,L,M6PRC0.78
26CA,B2F7I0.71
AC01-PHENYLETHANONEA1ZK10.89
AC01-PHENYLETHANONEA1ZK40.89
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.78
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.78
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.78
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.78
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.76
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.71
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
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.76
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.76
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.86
4FCA1YSG0.72
HBAP-HYDROXYBENZALDEHYDEA1K030.71
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.71
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.71
HBAP-HYDROXYBENZALDEHYDEA2GQ90.71
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.71
HBAP-HYDROXYBENZALDEHYDEA1OYB0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.81
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.81
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.81
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.81
BZSL-BENZYLSUCCINIC ACIDA1CBX0.73
BZSL-BENZYLSUCCINIC ACIDA1HYT0.73
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.73
7912-PHENYLMALONIC ACIDA1O4P0.76
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.83
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.74
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.74
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.73
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.72
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.78
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.78
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.78
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.78
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		1QZV0.78
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
BEZBENZOIC ACIDA,B2F8D0.76
BEZBENZOIC ACIDA,B1A8U0.76
BEZBENZOIC ACIDA,B1REE0.76
BEZBENZOIC ACIDA1L7Q0.76
BEZBENZOIC ACIDA1I690.76
BEZBENZOIC ACIDH,L1RUL0.76
BEZBENZOIC ACIDA,B3CCF0.76
BEZBENZOIC ACIDA1W9Q0.76
BEZBENZOIC ACIDA,B,G,J2DU80.76
BEZBENZOIC ACIDH,L1RUA0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.76
BEZBENZOIC ACIDH,L1RU90.76
BEZBENZOIC ACIDA,B,C,D2V320.76
BEZBENZOIC ACIDA2QMQ0.76
BEZBENZOIC ACIDA1UKB0.76
BEZBENZOIC ACIDA,B1RED0.76
BEZBENZOIC ACIDA,B1OC30.76
BEZBENZOIC ACIDA,B1REF0.76
BEZBENZOIC ACIDA,B2O020.76
BEZBENZOIC ACIDA,B2VJ10.76
BEZBENZOIC ACIDA,B,C1WSP0.76
BEZBENZOIC ACIDA1HZ40.76
BEZBENZOIC ACIDA2Q380.76
BEZBENZOIC ACIDA,B,C,D1UUJ0.76
BEZBENZOIC ACIDA,B2QL80.76
BEZBENZOIC ACIDA2Q0I0.76
BEZBENZOIC ACIDA,B1S8F0.76
BEZBENZOIC ACIDD,E,F,G,H1DJR0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.76
BEZBENZOIC ACIDA,B,C,D1I7Q0.76
BEZBENZOIC ACIDA,B,C,D2RHM0.76
BEZBENZOIC ACIDA,B2F780.76
BEZBENZOIC ACIDA,B2VL20.76
BEZBENZOIC ACIDA1HD20.76
BEZBENZOIC ACIDA1JU40.76
BEZBENZOIC ACIDH,L2AJY0.76
BEZBENZOIC ACIDA,B,C3GV10.76
BEZBENZOIC ACIDA2Q6U0.76
BEZBENZOIC ACIDA,B1VE90.76
BEZBENZOIC ACIDA,B1S9A0.76
BEZBENZOIC ACIDH,L,M1OP30.76
BEZBENZOIC ACIDA1W9E0.76
BEZBENZOIC ACIDA,B,C,D2V2G0.76
BEZBENZOIC ACIDH,L2AK10.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.76
BEZBENZOIC ACIDA,B1GYX0.76
BEZBENZOIC ACIDA1V1T0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.76
BEZBENZOIC ACIDA,B1HKQ0.76
BEZBENZOIC ACIDH,L1RUK0.76
BEZBENZOIC ACIDA2Q1B0.76
BEZBENZOIC ACIDH,L1RUM0.76
BEZBENZOIC ACIDA,B2F7A0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.76
BEZBENZOIC ACIDA,B2V7B0.76
BEZBENZOIC ACIDH1NCW0.76
BEZBENZOIC ACIDA,B1TMX0.76
BEZBENZOIC ACIDA1URM0.76
BEZBENZOIC ACIDA1W9O0.76
BEZBENZOIC ACIDA,B,C,D1GXS0.76
BEZBENZOIC ACIDH1RUP0.76
BEZBENZOIC ACIDA,B,C,D1KQB0.76
BEZBENZOIC ACIDA2Q9R0.76
BEZBENZOIC ACIDD,H2OK60.76
BEZBENZOIC ACIDA,B2Q0J0.76
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.71
PHTPHTHALIC ACIDA,B,C2B7P0.74
PHTPHTHALIC ACIDA3C2V0.74
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.74
PHTPHTHALIC ACIDA,B3C2R0.74
TRZTRAZEOLIDEA1C120.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.73
HBXbenzaldehydeA,B3GDN0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
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
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.79
4MA4-METHYLBENZOIC ACIDA,H2HRG0.78
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.79
AC6P-HYDROXYACETOPHENONEX2O480.79
1LPTRANYLCYPROMINEA,B1OJB0.74
3PL3-PHENYLPROPANALE1Y3G0.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.76
HCIHYDROCINNAMIC ACIDA,B1BXG0.79
HCIHYDROCINNAMIC ACIDA,B1TOG0.79
HCIHYDROCINNAMIC ACIDA,B1V2F0.79
HCIHYDROCINNAMIC ACIDA,B1AHX0.79
HCIHYDROCINNAMIC ACIDA1TOI0.79
HCIHYDROCINNAMIC ACIDA,B1AY80.79
HCIHYDROCINNAMIC ACIDA1TOJ0.79
BFLA,B1Q4G0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.83