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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00624147

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
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
AY1ANTIMYCIN A1C,D,E1NTK0.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.73
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.79
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.75
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.72
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
TY23-AMINO-L-TYROSINEA,B2VH30.76
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.72
2AF2-AMINOPHENOLA1L4N0.72
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.72
AZY3-AZIDO-L-TYROSINEA2YXN0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.7
ANTANTHRAMYCINA274D0.71
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
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.77
2AC2-AMINO-P-CRESOLA1L4M0.77
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.78