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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01747993

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AC2-AMINO-P-CRESOLH,I1A2C0.8
2AC2-AMINO-P-CRESOLA1L4M0.8
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.73
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
AZY3-AZIDO-L-TYROSINEA2YXN0.8
NIYMETA-NITRO-TYROSINEA2ADP0.75
NIYMETA-NITRO-TYROSINEA3DIV0.75
NIYMETA-NITRO-TYROSINEA2H5U0.75
NIYMETA-NITRO-TYROSINEA1K4Q0.75
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.75
AY1ANTIMYCIN A1C,D,E1NTK0.7
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.74
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.74
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.76
ANTANTHRAMYCINA274D0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.71
2AF2-AMINOPHENOLA1L4N0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.71
TY23-AMINO-L-TYROSINEA,B2VH30.81
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.72
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
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
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.75
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.74
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.75
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
A1SIH0.71
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.74
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.73
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.73