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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02227846

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S1ASORAPHEN AA,B3GID0.73
S1ASORAPHEN AA,B,C1W960.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.76
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.76
SS2(1R)-1-PHENYLETHANOLA1ZJY0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.71
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
SMN(S)-MANDELIC ACIDA1MDL0.74
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.72
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.74
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.72
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.75
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
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
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.82
RSOR-STYRENE OXIDEA,B1PWZ0.82
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
2PIS0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
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
SS11-PHENYLETHANOLH1UM50.76
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
1VQ60.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.71
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
1VQP0.71
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
1VQN0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.74
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.73
BFLA,B1Q4G0.73
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.77
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.76
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.74
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.83
PHQFORMIC ACID BENZYL ESTERA1KJO0.83
PHQFORMIC ACID BENZYL ESTERI2CDR0.83
PHQFORMIC ACID BENZYL ESTERI2C1E0.83
PHQFORMIC ACID BENZYL ESTERI5PAD0.83
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.83
PHQFORMIC ACID BENZYL ESTERA2CNO0.83
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.83
PHQFORMIC ACID BENZYL ESTERI2AZ90.83
PHQFORMIC ACID BENZYL ESTERI2C2K0.83
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.83
PHQFORMIC ACID BENZYL ESTERA1KJP0.83
PHQFORMIC ACID BENZYL ESTERI2C2M0.83
PHQFORMIC ACID BENZYL ESTERI2AZB0.83
PHQFORMIC ACID BENZYL ESTERA9HVP0.83
PHQFORMIC ACID BENZYL ESTERA1ESB0.83
PHQFORMIC ACID BENZYL ESTERE,F1DY80.83
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.83
PHQFORMIC ACID BENZYL ESTERI1GEC0.83
PHQFORMIC ACID BENZYL ESTERA1KS70.83
PHQFORMIC ACID BENZYL ESTERC1A8G0.83
PHQFORMIC ACID BENZYL ESTERA1KKK0.83
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.83
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.83
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.83
PHQFORMIC ACID BENZYL ESTERA1KTO0.83
PHQFORMIC ACID BENZYL ESTERA,C1TG10.83
PHQFORMIC ACID BENZYL ESTERI2AZ80.83
PHQFORMIC ACID BENZYL ESTERA,B2G580.83
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.83
PHQFORMIC ACID BENZYL ESTERI2CJY0.83
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.83
PHQFORMIC ACID BENZYL ESTERA1KR60.83
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.83
PHQFORMIC ACID BENZYL ESTERA1KRO0.83
PHQFORMIC ACID BENZYL ESTERI2CNN0.83
PHQFORMIC ACID BENZYL ESTERI2C2O0.83
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.83
PHQFORMIC ACID BENZYL ESTERA,B1THE0.83
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.83
PHQFORMIC ACID BENZYL ESTERE,I5EST0.83
PHQFORMIC ACID BENZYL ESTERI2CNK0.83
PHQFORMIC ACID BENZYL ESTERA1KL60.83
PHQFORMIC ACID BENZYL ESTERI6PAD0.83
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.83
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.76
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.7
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.7
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.73