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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006937

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MP3,4-DIMETHYLPHENOLA1L5O0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.79
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.8
SS2(1R)-1-PHENYLETHANOLA1ZK00.88
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.88
SS2(1R)-1-PHENYLETHANOLA1ZJY0.88
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.81
SMN(S)-MANDELIC ACIDA1MDL0.74
341(3,5-difluorophenyl)methanolC3EON0.77
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.78
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,D1Y0G0.73
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
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.77
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.8
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.93
2LP2-ALLYLPHENOLA1OV50.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.84
SS11-PHENYLETHANOLH1UM50.88
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
BML4-BROMOPHENOLA,B,E3DHH0.73
BML4-BROMOPHENOLA,B1XU30.73
BML4-BROMOPHENOLA,B1T0S0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.77
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.78
ETY4-ethylphenolA,B,C,D2RA60.75
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
OBZO-benzylhydroxylamineA,B3DTH0.74
OBZO-benzylhydroxylamineA,B3DTG0.74
RSOR-STYRENE OXIDEA,B1PWZ0.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.79