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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03852037

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
MBD3-METHYLCATECHOLA1KNF0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.8
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.74
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.75
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
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
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.77
STLRESVERATROLA,B3CKL0.79
STLRESVERATROLA,B,C,D1U0W0.79
STLRESVERATROLA1CGZ0.79
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.79
STLRESVERATROLA1Z1F0.79
STLRESVERATROLA1DVS0.79
STLRESVERATROLA,B1SG00.79
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.75
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.79
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.77
1NP1-NAPHTHOLX2ZVQ0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.75
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
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
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.72
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.74
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.74
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.74
RCORESORCINOLA,B,C,D,E,F2OMH0.74
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.74
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.74
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.74
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.7
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
ETY4-ethylphenolA,B,C,D2RA60.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.8
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
2LP2-ALLYLPHENOLA1OV50.78
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
AEF4-(2-aminoethyl)phenolA3BRA0.72
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.74
M07(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-
3-(4-METHOXYPHENYL)-1,6-DIOXA-2-
AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL
A2QRG0.74
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.7
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.72