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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02215223

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
DMBA,B1SRI0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
HABA,B1SRE0.73
AZY3-AZIDO-L-TYROSINEA2YXN0.82
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
ETY4-ethylphenolA,B,C,D2RA60.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
MTBA,B1SRF0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
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
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.82
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
2LP2-ALLYLPHENOLA1OV50.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.75
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.73
NIYMETA-NITRO-TYROSINEA2ADP0.78
NIYMETA-NITRO-TYROSINEA3DIV0.78
NIYMETA-NITRO-TYROSINEA2H5U0.78
NIYMETA-NITRO-TYROSINEA1K4Q0.78
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.78
DNF2,4-DINITROPHENOLA,B2B160.71
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.71
DNF2,4-DINITROPHENOLA1GVO0.71
DNF2,4-DINITROPHENOLA,B2B150.71
DNF2,4-DINITROPHENOLA,B2B140.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
TY23-AMINO-L-TYROSINEA,B2VH30.84
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
DTYD-TYROSINEA1C4B0.72
DTYD-TYROSINEA,L1ZEA0.72
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.72
DTYD-TYROSINEA,B1UNO0.72
DTYD-TYROSINEA2IGZ0.72
DTYD-TYROSINEA,B,C,H,K,L2R5D0.72
DTYD-TYROSINEA,B2Q330.72
DTYD-TYROSINEH,S2H9E0.72
DTYD-TYROSINEA,B,C,H,K,L2R5B0.72
DTYD-TYROSINEA2IH00.72
DTYD-TYROSINEA1D7T0.72
DTYD-TYROSINEA,B1XA00.72
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.77
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.77
MHBA,B1SRG0.73
4NL4-AMINOPHENOLA2ORL0.8
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.7
2AC2-AMINO-P-CRESOLH,I1A2C0.93
2AC2-AMINO-P-CRESOLA1L4M0.93
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.76
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.76
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
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
NPOP-NITROPHENOLA,B1Z440.71
NPOP-NITROPHENOLX2ZYW0.71
NPOP-NITROPHENOLH,L1YEK0.71
NPOP-NITROPHENOLA,C,E,G43CA0.71
NPOP-NITROPHENOLA1LS60.71
NPOP-NITROPHENOLX2ZVP0.71
NPOP-NITROPHENOLA,B2I100.71
NPOP-NITROPHENOLA1VAH0.71
NPOP-NITROPHENOLA,B3ETT0.71
NPOP-NITROPHENOLA,B2D200.71
NPOP-NITROPHENOLX2ZYV0.71
AEF4-(2-aminoethyl)phenolA3BRA0.77
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
2AF2-AMINOPHENOLA1L4N0.85
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
IYR3-IODO-TYROSINEA2D980.7
IYR3-IODO-TYROSINEA2D8P0.7
IYR3-IODO-TYROSINEA,B3GFD0.7
IYR3-IODO-TYROSINEA2R1Q0.7
IYR3-IODO-TYROSINEA2ZP10.7
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.7
IYR3-IODO-TYROSINEC1CF00.7
IYR3-IODO-TYROSINEA1XXZ0.7
IYR3-IODO-TYROSINEA2D970.7
IYR3-IODO-TYROSINEA1XY90.7
IYR3-IODO-TYROSINEA2Z100.7
IYR3-IODO-TYROSINEA1WQ30.7
IYR3-IODO-TYROSINEA2D8O0.7
IYR3-IODO-TYROSINEA2D8W0.7
IYR3-IODO-TYROSINEA2Z110.7
SOAISATOIC ANHYDRIDEA1BIO0.78