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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03235902

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.86
PHQFORMIC ACID BENZYL ESTERA1KJO0.86
PHQFORMIC ACID BENZYL ESTERI2CDR0.86
PHQFORMIC ACID BENZYL ESTERI2C1E0.86
PHQFORMIC ACID BENZYL ESTERI5PAD0.86
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.86
PHQFORMIC ACID BENZYL ESTERA2CNO0.86
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.86
PHQFORMIC ACID BENZYL ESTERI2AZ90.86
PHQFORMIC ACID BENZYL ESTERI2C2K0.86
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.86
PHQFORMIC ACID BENZYL ESTERA1KJP0.86
PHQFORMIC ACID BENZYL ESTERI2C2M0.86
PHQFORMIC ACID BENZYL ESTERI2AZB0.86
PHQFORMIC ACID BENZYL ESTERA9HVP0.86
PHQFORMIC ACID BENZYL ESTERA1ESB0.86
PHQFORMIC ACID BENZYL ESTERE,F1DY80.86
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.86
PHQFORMIC ACID BENZYL ESTERI1GEC0.86
PHQFORMIC ACID BENZYL ESTERA1KS70.86
PHQFORMIC ACID BENZYL ESTERC1A8G0.86
PHQFORMIC ACID BENZYL ESTERA1KKK0.86
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.86
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.86
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.86
PHQFORMIC ACID BENZYL ESTERA1KTO0.86
PHQFORMIC ACID BENZYL ESTERA,C1TG10.86
PHQFORMIC ACID BENZYL ESTERI2AZ80.86
PHQFORMIC ACID BENZYL ESTERA,B2G580.86
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.86
PHQFORMIC ACID BENZYL ESTERI2CJY0.86
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.86
PHQFORMIC ACID BENZYL ESTERA1KR60.86
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.86
PHQFORMIC ACID BENZYL ESTERA1KRO0.86
PHQFORMIC ACID BENZYL ESTERI2CNN0.86
PHQFORMIC ACID BENZYL ESTERI2C2O0.86
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.86
PHQFORMIC ACID BENZYL ESTERA,B1THE0.86
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.86
PHQFORMIC ACID BENZYL ESTERE,I5EST0.86
PHQFORMIC ACID BENZYL ESTERI2CNK0.86
PHQFORMIC ACID BENZYL ESTERA1KL60.86
PHQFORMIC ACID BENZYL ESTERI6PAD0.86
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.86
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.74
OXNOXTOXYNOL-10A1IKT0.7
OXNOXTOXYNOL-10A,B2Q320.7
OXNOXTOXYNOL-10A,B1UEH0.7
OXNOXTOXYNOL-10A,B2D4Q0.7
341(3,5-difluorophenyl)methanolC3EON0.74
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.84
12M(2-ETHYLPHENYL)METHANOLA,B2F620.82
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.76
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.87
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.87
SS2(1R)-1-PHENYLETHANOLA1ZJY0.87
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
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
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.72
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
FPRPROPYLBENZENEC1RHK0.7
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.79
OBZO-benzylhydroxylamineA,B3DTH0.83
OBZO-benzylhydroxylamineA,B3DTG0.83
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.74
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,D1Y0G0.74
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.7
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.7
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.71
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.7
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.73
959benzyl (2-oxopropyl)carbamateA3D620.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.83
2LP2-ALLYLPHENOLA1OV50.74
SS11-PHENYLETHANOLH1UM50.87
SMN(S)-MANDELIC ACIDA1MDL0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
RSOR-STYRENE OXIDEA,B1PWZ0.94
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.71
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
ETY4-ethylphenolA,B,C,D2RA60.74
N4BN-BUTYLBENZENEA186L0.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78
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