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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02337182

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1Y0G0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.75
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.7
B08A,B2E990.77
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.82
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
7912-PHENYLMALONIC ACIDA1O4P0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.77
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
HPHPHENYLALANINDIOLI1E5O0.7
HPHPHENYLALANINDIOLA,B1ODX0.7
HPHPHENYLALANINDIOLA,B1MTB0.7
HPHPHENYLALANINDIOLA,B2FGV0.7
HPHPHENYLALANINDIOLA1ODW0.7
HPHPHENYLALANINDIOLA,B2FGU0.7
HPHPHENYLALANINDIOLA,B1HXB0.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.75
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
1VQ60.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.7
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
1VQP0.7
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
1VQN0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.7
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.71
341(3,5-difluorophenyl)methanolC3EON0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.73
BDBA,B1KE30.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
FPRPROPYLBENZENEC1RHK0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.83
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.77
I4BISOBUTYLBENZENEA184L0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.73
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.81
BFLA,B1Q4G0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.81
1LPTRANYLCYPROMINEA,B1OJB0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.73
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.8
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.7
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.73
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.71
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.71
PHLL-PHENYLALANINOLA,B1JOH0.73
PHLL-PHENYLALANINOLI3APR0.73
PHLL-PHENYLALANINOLA1DLZ0.73
PHLL-PHENYLALANINOLA1IH90.73
PHLL-PHENYLALANINOLA1OB40.73
PHLL-PHENYLALANINOLI2ER60.73
PHLL-PHENYLALANINOLA1R9U0.73
PHLL-PHENYLALANINOLA1OB70.73
PHLL-PHENYLALANINOLA,B1OB60.73
PHLL-PHENYLALANINOLA,B,C1AMT0.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
N4BN-BUTYLBENZENEA186L0.72
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.71
B28A,B2E9A0.76
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
SS11-PHENYLETHANOLH1UM50.8
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.78
DFADIPHENYLACETIC ACIDA,B,C1GMY0.78
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.77
NPYNAPHTHALENEA,B1O7G0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.86
PEL2-PHENYL-ETHANOLD,H2I0T0.86
PEL2-PHENYL-ETHANOLA,B1HZY0.86
PEL2-PHENYL-ETHANOLA,B1I0B0.86
PEL2-PHENYL-ETHANOLA1EYW0.86
PEL2-PHENYL-ETHANOLA,B1JGM0.86