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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02306155

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.74
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.8
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.7
RSOR-STYRENE OXIDEA,B1PWZ0.96
ETY4-ethylphenolA,B,C,D2RA60.76
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.75
I4BISOBUTYLBENZENEA184L0.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.8
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.7
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.7
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
2LP2-ALLYLPHENOLA1OV50.76
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
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
2PIS0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.73
SMN(S)-MANDELIC ACIDA1MDL0.73
FPRPROPYLBENZENEC1RHK0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
SS11-PHENYLETHANOLH1UM50.89
PEL2-PHENYL-ETHANOLA,B1I0D0.81
PEL2-PHENYL-ETHANOLD,H2I0T0.81
PEL2-PHENYL-ETHANOLA,B1HZY0.81
PEL2-PHENYL-ETHANOLA,B1I0B0.81
PEL2-PHENYL-ETHANOLA1EYW0.81
PEL2-PHENYL-ETHANOLA,B1JGM0.81
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.73
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
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
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.86
MNN(S)-MANDELIC ACID NITRILEA1YB60.8
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.88
PHQFORMIC ACID BENZYL ESTERA1KJO0.88
PHQFORMIC ACID BENZYL ESTERI2CDR0.88
PHQFORMIC ACID BENZYL ESTERI2C1E0.88
PHQFORMIC ACID BENZYL ESTERI5PAD0.88
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.88
PHQFORMIC ACID BENZYL ESTERA2CNO0.88
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.88
PHQFORMIC ACID BENZYL ESTERI2AZ90.88
PHQFORMIC ACID BENZYL ESTERI2C2K0.88
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.88
PHQFORMIC ACID BENZYL ESTERA1KJP0.88
PHQFORMIC ACID BENZYL ESTERI2C2M0.88
PHQFORMIC ACID BENZYL ESTERI2AZB0.88
PHQFORMIC ACID BENZYL ESTERA9HVP0.88
PHQFORMIC ACID BENZYL ESTERA1ESB0.88
PHQFORMIC ACID BENZYL ESTERE,F1DY80.88
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.88
PHQFORMIC ACID BENZYL ESTERI1GEC0.88
PHQFORMIC ACID BENZYL ESTERA1KS70.88
PHQFORMIC ACID BENZYL ESTERC1A8G0.88
PHQFORMIC ACID BENZYL ESTERA1KKK0.88
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.88
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.88
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.88
PHQFORMIC ACID BENZYL ESTERA1KTO0.88
PHQFORMIC ACID BENZYL ESTERA,C1TG10.88
PHQFORMIC ACID BENZYL ESTERI2AZ80.88
PHQFORMIC ACID BENZYL ESTERA,B2G580.88
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.88
PHQFORMIC ACID BENZYL ESTERI2CJY0.88
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.88
PHQFORMIC ACID BENZYL ESTERA1KR60.88
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.88
PHQFORMIC ACID BENZYL ESTERA1KRO0.88
PHQFORMIC ACID BENZYL ESTERI2CNN0.88
PHQFORMIC ACID BENZYL ESTERI2C2O0.88
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.88
PHQFORMIC ACID BENZYL ESTERA,B1THE0.88
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.88
PHQFORMIC ACID BENZYL ESTERE,I5EST0.88
PHQFORMIC ACID BENZYL ESTERI2CNK0.88
PHQFORMIC ACID BENZYL ESTERA1KL60.88
PHQFORMIC ACID BENZYL ESTERI6PAD0.88
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.88
12M(2-ETHYLPHENYL)METHANOLA,B2F620.84
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
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
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
959benzyl (2-oxopropyl)carbamateA3D620.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.8
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.7
OBZO-benzylhydroxylamineA,B3DTH0.85
OBZO-benzylhydroxylamineA,B3DTG0.85
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
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
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.81
N4BN-BUTYLBENZENEA186L0.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
341(3,5-difluorophenyl)methanolC3EON0.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.89
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.89
SS2(1R)-1-PHENYLETHANOLA1ZJY0.89
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1BLH0.71
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1AXB0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.79