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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03917648

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.74
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
1VQ60.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.75
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
1VQP0.75
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
1VQN0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.75
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
3PL3-PHENYLPROPANALE1Y3G0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.87
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.79
RSOR-STYRENE OXIDEA,B1PWZ0.73
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.74
PEL2-PHENYL-ETHANOLA,B1I0D0.9
PEL2-PHENYL-ETHANOLD,H2I0T0.9
PEL2-PHENYL-ETHANOLA,B1HZY0.9
PEL2-PHENYL-ETHANOLA,B1I0B0.9
PEL2-PHENYL-ETHANOLA1EYW0.9
PEL2-PHENYL-ETHANOLA,B1JGM0.9
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
FPRPROPYLBENZENEC1RHK0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.75
BDBA,B1KE30.75
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.72
PHQFORMIC ACID BENZYL ESTERA1KJO0.72
PHQFORMIC ACID BENZYL ESTERI2CDR0.72
PHQFORMIC ACID BENZYL ESTERI2C1E0.72
PHQFORMIC ACID BENZYL ESTERI5PAD0.72
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.72
PHQFORMIC ACID BENZYL ESTERA2CNO0.72
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.72
PHQFORMIC ACID BENZYL ESTERI2AZ90.72
PHQFORMIC ACID BENZYL ESTERI2C2K0.72
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.72
PHQFORMIC ACID BENZYL ESTERA1KJP0.72
PHQFORMIC ACID BENZYL ESTERI2C2M0.72
PHQFORMIC ACID BENZYL ESTERI2AZB0.72
PHQFORMIC ACID BENZYL ESTERA9HVP0.72
PHQFORMIC ACID BENZYL ESTERA1ESB0.72
PHQFORMIC ACID BENZYL ESTERE,F1DY80.72
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.72
PHQFORMIC ACID BENZYL ESTERI1GEC0.72
PHQFORMIC ACID BENZYL ESTERA1KS70.72
PHQFORMIC ACID BENZYL ESTERC1A8G0.72
PHQFORMIC ACID BENZYL ESTERA1KKK0.72
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.72
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.72
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KTO0.72
PHQFORMIC ACID BENZYL ESTERA,C1TG10.72
PHQFORMIC ACID BENZYL ESTERI2AZ80.72
PHQFORMIC ACID BENZYL ESTERA,B2G580.72
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.72
PHQFORMIC ACID BENZYL ESTERI2CJY0.72
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.72
PHQFORMIC ACID BENZYL ESTERA1KR60.72
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KRO0.72
PHQFORMIC ACID BENZYL ESTERI2CNN0.72
PHQFORMIC ACID BENZYL ESTERI2C2O0.72
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.72
PHQFORMIC ACID BENZYL ESTERA,B1THE0.72
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.72
PHQFORMIC ACID BENZYL ESTERE,I5EST0.72
PHQFORMIC ACID BENZYL ESTERI2CNK0.72
PHQFORMIC ACID BENZYL ESTERA1KL60.72
PHQFORMIC ACID BENZYL ESTERI6PAD0.72
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.72
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
PAC2-PHENYLACETIC ACIDB1PNL0.76
PAC2-PHENYLACETIC ACIDB1K5Q0.76
PAC2-PHENYLACETIC ACIDB1FXH0.76
PAC2-PHENYLACETIC ACIDA2ISF0.76
PAC2-PHENYLACETIC ACIDA2INE0.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.74
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
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
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
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.75
I4BISOBUTYLBENZENEA184L0.74
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.78
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.78
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.78
IBPIBUPROFENA3FKX0.77
IBPIBUPROFENA,B2BXG0.77
IBPIBUPROFENA,B1EQG0.77
IBPIBUPROFENA,B,C2WD90.77
IBPIBUPROFENA2PWS0.77
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.74
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.74
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.74
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
HPHPHENYLALANINDIOLI1E5O0.75
HPHPHENYLALANINDIOLA,B1ODX0.75
HPHPHENYLALANINDIOLA,B1MTB0.75
HPHPHENYLALANINDIOLA,B2FGV0.75
HPHPHENYLALANINDIOLA1ODW0.75
HPHPHENYLALANINDIOLA,B2FGU0.75
HPHPHENYLALANINDIOLA,B1HXB0.75
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
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.81
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.75
BZSL-BENZYLSUCCINIC ACIDA1HYT0.75
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.87
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.71
N4BN-BUTYLBENZENEA186L0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.76
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.77
7912-PHENYLMALONIC ACIDA1O4P0.71
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.75
SS11-PHENYLETHANOLH1UM50.81
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
SMN(S)-MANDELIC ACIDA1MDL0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
PHLL-PHENYLALANINOLA,B1JOH0.77
PHLL-PHENYLALANINOLI3APR0.77
PHLL-PHENYLALANINOLA1DLZ0.77
PHLL-PHENYLALANINOLA1IH90.77
PHLL-PHENYLALANINOLA1OB40.77
PHLL-PHENYLALANINOLI2ER60.77
PHLL-PHENYLALANINOLA1R9U0.77
PHLL-PHENYLALANINOLA1OB70.77
PHLL-PHENYLALANINOLA,B1OB60.77
PHLL-PHENYLALANINOLA,B,C1AMT0.77
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.73
BFLA,B1Q4G0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.8
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.8
B28A,B2E9A0.76
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
OBZO-benzylhydroxylamineA,B3DTH0.75
OBZO-benzylhydroxylamineA,B3DTG0.75
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.83
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
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
2LP2-ALLYLPHENOLA1OV50.72
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.83
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.76
341(3,5-difluorophenyl)methanolC3EON0.76