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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02999075

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.9
12M(2-ETHYLPHENYL)METHANOLA,B2F620.83
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.72
2CH2-CHLOROPHENOLA1WBO0.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.78
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.8
RSOR-STYRENE OXIDEA,B1PWZ0.75
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,D1Y0G0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.87
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.87
SS2(1R)-1-PHENYLETHANOLA1ZJY0.87
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.78
SMN(S)-MANDELIC ACIDA1MDL0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
MNN(S)-MANDELIC ACID NITRILEA1YB60.8
3CH3-CHLOROPHENOLA1LI30.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.8
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
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
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.73
2LP2-ALLYLPHENOLA1OV50.74
SS11-PHENYLETHANOLH1UM50.87
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
2MP3,4-DIMETHYLPHENOLA1L5O0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.73
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
ETY4-ethylphenolA,B,C,D2RA60.74
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
341(3,5-difluorophenyl)methanolC3EON0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.78
PEL2-PHENYL-ETHANOLD,H2I0T0.78
PEL2-PHENYL-ETHANOLA,B1HZY0.78
PEL2-PHENYL-ETHANOLA,B1I0B0.78
PEL2-PHENYL-ETHANOLA1EYW0.78
PEL2-PHENYL-ETHANOLA,B1JGM0.78
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71