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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03465258

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ETY4-ethylphenolA,B,C,D2RA60.81
SS11-PHENYLETHANOLH1UM50.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.77
IPHPHENOLA,B2OLD0.72
IPHPHENOLA,B,C,D2PZV0.72
IPHPHENOLA1LI20.72
IPHPHENOLA2J9N0.72
IPHPHENOLA,B,C,D2OMB0.72
IPHPHENOLA1JHX0.72
IPHPHENOLA,B,C,D2VE70.72
IPHPHENOLB,D,E,G,H,J,L1AI00.72
IPHPHENOLA,B,C,D1FOH0.72
IPHPHENOLA1V030.72
IPHPHENOLA,C,E,G,I,K5AIY0.72
IPHPHENOLB,D,F,H,J,L1AIY0.72
IPHPHENOLA,B1XU50.72
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.72
IPHPHENOLA,C,E,G,I,K4AIY0.72
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.72
IPHPHENOLA2AS30.72
IPHPHENOLA,B,C,D1ZEG0.72
IPHPHENOLA,B,C,D1PN00.72
IPHPHENOLA,B,C,D1XW70.72
IPHPHENOLA,C,E,G,I,K,M1QIY0.72
IPHPHENOLA,B,C,D1Q4V0.72
IPHPHENOLB1AI70.72
IPHPHENOLA1FJW0.72
IPHPHENOLB,C,D1RWE0.72
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.72
IPHPHENOLB,C,D3GKY0.72
IPHPHENOLA1JHY0.72
IPHPHENOLA,C,E,G,I,K3AIY0.72
IPHPHENOLA,B2OMN0.72
IPHPHENOLA,C,E,G,I,K2AIY0.72
IPHPHENOLA,B,D1MPJ0.72
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.72
IPHPHENOLB,C,D1LPH0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.8
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.8
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
PCRP-CRESOLA1JHV0.81
PCRP-CRESOLA1JHU0.81
PCRP-CRESOLA,B,C,D1DIQ0.81
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
2LP2-ALLYLPHENOLA1OV50.83
2MP3,4-DIMETHYLPHENOLA1L5O0.78
AEF4-(2-aminoethyl)phenolA3BRA0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.74
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.79
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.79
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.76
FP22-fluorophenolA3CPO0.7
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
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.77
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
HC4A1TS60.74
HC4A3PHY0.74
HC4A3PYP0.74
HC4A1T1C0.74
HC4A1OT60.74
HC4A1TS00.74
HC4A1T1A0.74
HC4A2PYP0.74
HC4A2ZOI0.74
HC4A1OTI0.74
HC4A1XFQ0.74
HC4A2D010.74
HC4A,B,C,D,E,F,
G,H
2O7B0.74
HC4A2ZOH0.74
HC4A1GSW0.74
HC4A2QJ70.74
HC4A1F9I0.74
HC4X1UWP0.74
HC4A2PHY0.74
HC4A1T1B0.74
HC4A1F980.74
HC4A1T190.74
HC4X1UWN0.74
HC4A,B,C,D,E,F,
G,H
2O7F0.74
HC4A1UGU0.74
HC4A1TS80.74
HC4A,B1OTD0.74
HC4A1OTE0.74
HC4A1GSX0.74
HC4A1TS70.74
HC4A2PYR0.74
HC4A1S4S0.74
HC4A1GSV0.74
HC4A2I9V0.74
HC4A2QWS0.74
HC4A1XFN0.74
HC4A1S4R0.74
HC4A1T180.74
HC4A1OTA0.74
HC4A1D7E0.74
HC4A1S1Z0.74
HC4A,B,C1MZU0.74
HC4A,B1ODV0.74
HC4A,B2J3J0.74
HC4A2QJ50.74
HC4A1OTB0.74
HC4A2D020.74
HC4A1OT90.74
HC4A1NWZ0.74
HC4A1S1Y0.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
LDPL-DOPAMINEA,B2A3R0.74
LDPL-DOPAMINEA5PAH0.74
LDPL-DOPAMINEA,B2QMZ0.74
LDPL-DOPAMINEA,B2VQ50.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.79
MBD3-METHYLCATECHOLA1KNF0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.82
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
FPN4-FLUOROPHENOLA,B1XVD0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.81
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
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,D1Y0G0.81
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
CRSM-CRESOLA,B,C,D1EV30.8
CRSM-CRESOLA,B,C,D,E,F2OMG0.8
CRSM-CRESOLA,B1UZ90.8
CRSM-CRESOLA,B,C,D1ZEH0.8
CRSM-CRESOLA,B,C,D,E,F1ZEI0.8
CRSM-CRESOLA,C,D,E7INS0.8
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.8
TYBTYROSINALA,B1KDZ0.7
TYBTYROSINALA1Q110.7
TYBTYROSINALA,B2J5B0.7
TYBTYROSINALA,I1GA40.7
TYBTYROSINALA,B,C1NLU0.7
TYBTYROSINALA,B1KE10.7
TYBTYROSINALA,B1H3F0.7
TYBTYROSINALA,B1H3E0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
1NP1-NAPHTHOLX2ZVQ0.75
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
CUS(N-SALICYLIDEN-L-LEUCINATO)-COPPER(II)A2EB90.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.77
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.77
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.77
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.76
IOL4-IODOPHENOLA,B1EWA0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.81
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75