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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00111675

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.75
2MP3,4-DIMETHYLPHENOLA1L5O0.77
341(3,5-difluorophenyl)methanolC3EON0.74
RSOR-STYRENE OXIDEA,B1PWZ0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
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
OBZO-benzylhydroxylamineA,B3DTH0.76
OBZO-benzylhydroxylamineA,B3DTG0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
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
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.88
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.7
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
SS11-PHENYLETHANOLH1UM50.84
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.76
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.7
AEF4-(2-aminoethyl)phenolA3BRA0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
2HT3-methylbenzonitrileA,B3F880.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.77
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.88
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.7
1NP1-NAPHTHOLX2ZVQ0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
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,D1Y0G0.76
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
BFLA,B1Q4G0.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.75
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.8
ETY4-ethylphenolA,B,C,D2RA60.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.84
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
2LP2-ALLYLPHENOLA1OV50.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.8
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
MBD3-METHYLCATECHOLA1KNF0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.84
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.84
SS2(1R)-1-PHENYLETHANOLA1ZJY0.84
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7