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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331751

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
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.8
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
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
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.81
FPRPROPYLBENZENEC1RHK0.75
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.8
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.78
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.78
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.78
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.78
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
ETY4-ethylphenolA,B,C,D2RA60.71
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
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
HC4A1TS60.77
HC4A3PHY0.77
HC4A3PYP0.77
HC4A1T1C0.77
HC4A1OT60.77
HC4A1TS00.77
HC4A1T1A0.77
HC4A2PYP0.77
HC4A2ZOI0.77
HC4A1OTI0.77
HC4A1XFQ0.77
HC4A2D010.77
HC4A,B,C,D,E,F,
G,H
2O7B0.77
HC4A2ZOH0.77
HC4A1GSW0.77
HC4A2QJ70.77
HC4A1F9I0.77
HC4X1UWP0.77
HC4A2PHY0.77
HC4A1T1B0.77
HC4A1F980.77
HC4A1T190.77
HC4X1UWN0.77
HC4A,B,C,D,E,F,
G,H
2O7F0.77
HC4A1UGU0.77
HC4A1TS80.77
HC4A,B1OTD0.77
HC4A1OTE0.77
HC4A1GSX0.77
HC4A1TS70.77
HC4A2PYR0.77
HC4A1S4S0.77
HC4A1GSV0.77
HC4A2I9V0.77
HC4A2QWS0.77
HC4A1XFN0.77
HC4A1S4R0.77
HC4A1T180.77
HC4A1OTA0.77
HC4A1D7E0.77
HC4A1S1Z0.77
HC4A,B,C1MZU0.77
HC4A,B1ODV0.77
HC4A,B2J3J0.77
HC4A2QJ50.77
HC4A1OTB0.77
HC4A2D020.77
HC4A1OT90.77
HC4A1NWZ0.77
HC4A1S1Y0.77
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.76
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
173BENZOYL-FORMIC ACIDA,B1SZE0.74
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.76
BZSL-BENZYLSUCCINIC ACIDA1HYT0.76
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.76
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.92
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
SS11-PHENYLETHANOLH1UM50.74
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
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
BDBA,B1KE30.72
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.74
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.78
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.88
SMN(S)-MANDELIC ACIDA1MDL0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.78
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.76
7912-PHENYLMALONIC ACIDA1O4P0.73
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
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.78
I4BISOBUTYLBENZENEA184L0.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.74
AC01-PHENYLETHANONEA1ZK10.74
AC01-PHENYLETHANONEA1ZK40.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.75
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
4FCA1YSG0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.7
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
1LPTRANYLCYPROMINEA,B1OJB0.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.93
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.93
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.93
FBCA,B2B9A0.72
N4BN-BUTYLBENZENEA186L0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.83
HCIHYDROCINNAMIC ACIDA,B1TOG0.83
HCIHYDROCINNAMIC ACIDA,B1V2F0.83
HCIHYDROCINNAMIC ACIDA,B1AHX0.83
HCIHYDROCINNAMIC ACIDA1TOI0.83
HCIHYDROCINNAMIC ACIDA,B1AY80.83
HCIHYDROCINNAMIC ACIDA1TOJ0.83
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.88
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.88
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.72
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
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.84
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.82
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.77
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.77
3PL3-PHENYLPROPANALE1Y3G0.73
PHTPHTHALIC ACIDA,B,C2B7P0.74
PHTPHTHALIC ACIDA3C2V0.74
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.74
PHTPHTHALIC ACIDA,B3C2R0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
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
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.77
OSB2-SUCCINYLBENZOATEA1FHV0.73
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.73
OSB2-SUCCINYLBENZOATEA,B2QVH0.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.74
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.74
SS2(1R)-1-PHENYLETHANOLA1ZJY0.74
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
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
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.75
BFLA,B1Q4G0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.82
26CA,B2F7I0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.81
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.81
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.81