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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00504471

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2LP2-ALLYLPHENOLA1OV50.8
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.75
MBD3-METHYLCATECHOLA1KNF0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
SS11-PHENYLETHANOLH1UM50.7
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
3CH3-CHLOROPHENOLA1LI30.76
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.7
ANFANTHRONEH2BJM0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
2CH2-CHLOROPHENOLA1WBO0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.79
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.84
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.81
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.76
DESDIETHYLSTILBESTROLA,B3ERD0.76
DESDIETHYLSTILBESTROLA,B1TT60.76
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.76
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.79
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.78
ETY4-ethylphenolA,B,C,D2RA60.78
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.85
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
1NP1-NAPHTHOLX2ZVQ0.73
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,D1Y0G0.79
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.77
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.79
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.83
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.81
EYK2-tert-butylbenzene-1,4-diolB3EYK0.81
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.81
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.81
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.81