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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02635864

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AC2-AMINO-P-CRESOLH,I1A2C0.9
2AC2-AMINO-P-CRESOLA1L4M0.9
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
AZY3-AZIDO-L-TYROSINEA2YXN0.8
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.79
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.74
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.74
2AF2-AMINOPHENOLA1L4N0.82
HABA,B1SRE0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
4NL4-AMINOPHENOLA2ORL0.78
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.8
NCR2-NITRO-P-CRESOLA,B1AHV0.8
SOAISATOIC ANHYDRIDEA1BIO0.76
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.7
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
MTBA,B1SRF0.71
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.71
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
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
NH13-(4-AMINO-2-TERT-BUTYL-5-METHYL-
PHENYLSULFANYL)-6-CYCLOPENTYL-4-
HYDROXY-6-[2-(4-HYDROXY-PHENYL)-
ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE
A1OS50.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
NIYMETA-NITRO-TYROSINEA2ADP0.76
NIYMETA-NITRO-TYROSINEA3DIV0.76
NIYMETA-NITRO-TYROSINEA2H5U0.76
NIYMETA-NITRO-TYROSINEA1K4Q0.76
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.76
TY23-AMINO-L-TYROSINEA,B2VH30.82