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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00608436

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.72
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
ETY4-ethylphenolA,B,C,D2RA60.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.76
MBD3-METHYLCATECHOLA1KNF0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
SS11-PHENYLETHANOLH1UM50.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
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,D1Y0G0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.7
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.7
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
MTYMETA-TYROSINEA2TOH0.72
MTYMETA-TYROSINEA,B1BIQ0.72
MTYMETA-TYROSINEA1Q7O0.72
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.73
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
TYBTYROSINALA,B1KDZ0.72
TYBTYROSINALA1Q110.72
TYBTYROSINALA,B2J5B0.72
TYBTYROSINALA,I1GA40.72
TYBTYROSINALA,B,C1NLU0.72
TYBTYROSINALA,B1KE10.72
TYBTYROSINALA,B1H3F0.72
TYBTYROSINALA,B1H3E0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.75
LNRL-NOREPINEPHRINEA,B2QEO0.74
LNRL-NOREPINEPHRINEA3DYE0.74
LNRL-NOREPINEPHRINEA4PAH0.74
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.78
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
AEF4-(2-aminoethyl)phenolA3BRA0.75
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
2LP2-ALLYLPHENOLA1OV50.74
2MP3,4-DIMETHYLPHENOLA1L5O0.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
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
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.75
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.79
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.77
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.76
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
CUS(N-SALICYLIDEN-L-LEUCINATO)-COPPER(II)A2EB90.72
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75