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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02180546

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.75
341(3,5-difluorophenyl)methanolC3EON0.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
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
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.74
RSOR-STYRENE OXIDEA,B1PWZ0.72
OXEORTHO-XYLENEA,B3E0X0.78
OXEORTHO-XYLENEA188L0.78
PEL2-PHENYL-ETHANOLA,B1I0D0.79
PEL2-PHENYL-ETHANOLD,H2I0T0.79
PEL2-PHENYL-ETHANOLA,B1HZY0.79
PEL2-PHENYL-ETHANOLA,B1I0B0.79
PEL2-PHENYL-ETHANOLA1EYW0.79
PEL2-PHENYL-ETHANOLA,B1JGM0.79
2LP2-ALLYLPHENOLA1OV50.71
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
BDBA,B1KE30.72
2MP3,4-DIMETHYLPHENOLA1L5O0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
DENINDENEA183L0.72
SS11-PHENYLETHANOLH1UM50.85
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
I4BISOBUTYLBENZENEA184L0.73
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.77
3PL3-PHENYLPROPANALE1Y3G0.7
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
1LPTRANYLCYPROMINEA,B1OJB0.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.74
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.74
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.74
N4BN-BUTYLBENZENEA186L0.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.77
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.85
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.77
ETY4-ethylphenolA,B,C,D2RA60.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.77
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.85
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.85
SS2(1R)-1-PHENYLETHANOLA1ZJY0.85
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.79